1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one

C84H90N6O6 — CID 158534635

IUPAC1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one
SMILESC=CC(=O)n1c(C(C)C)cc2ccccc21.C=CC(=O)n1cc(C(C)C)c2ccccc21.C=CC(=O)n1ccc2c(C(C)C)cccc21.C=CC(=O)n1ccc2cc(C(C)C)ccc21.C=CC(=O)n1ccc2ccc(C(C)C)cc21.C=CC(=O)n1ccc2cccc(C(C)C)c21
InChIInChI=1S/6C14H15NO/c1-4-14(16)15-8-7-12-9-11(10(2)3)5-6-13(12)15;1-4-14(16)15-8-7-11-5-6-12(10(2)3)9-13(11)15;1-4-14(16)15-9-8-12-11(10(2)3)6-5-7-13(12)15;1-4-13(16)15-9-8-11-6-5-7-12(10(2)3)14(11)15;1-4-14(16)15-9-12(10(2)3)11-7-5-6-8-13(11)15;1-4-14(16)15-12-8-6-5-7-11(12)9-13(15)10(2)3/h6*4-10H,1H2,2-3H3
InChIKeyHNUDHOCCNAUFLT-UHFFFAOYSA-N
MW1279.68 g/mol
LogP21.55
Rot. Bonds12

About 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one

1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one (PubChem CID 158534635) has the molecular formula C84H90N6O6 and a molecular weight of 1279.68 g/mol. Its IUPAC name is 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one
PubChem CID158534635
Molecular FormulaC84H90N6O6
Molecular Weight1279.68 g/mol
Exact Mass1278.69
IUPAC Name1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one
SMILESC=CC(=O)n1c(C(C)C)cc2ccccc21.C=CC(=O)n1cc(C(C)C)c2ccccc21.C=CC(=O)n1ccc2c(C(C)C)cccc21.C=CC(=O)n1ccc2cc(C(C)C)ccc21.C=CC(=O)n1ccc2ccc(C(C)C)cc21.C=CC(=O)n1ccc2cccc(C(C)C)c21
InChIInChI=1S/6C14H15NO/c1-4-14(16)15-8-7-12-9-11(10(2)3)5-6-13(12)15;1-4-14(16)15-8-7-11-5-6-12(10(2)3)9-13(11)15;1-4-14(16)15-9-8-12-11(10(2)3)6-5-7-13(12)15;1-4-13(16)15-9-8-11-6-5-7-12(10(2)3)14(11)15;1-4-14(16)15-9-12(10(2)3)11-7-5-6-8-13(11)15;1-4-14(16)15-12-8-6-5-7-11(12)9-13(15)10(2)3/h6*4-10H,1H2,2-3H3
InChIKeyHNUDHOCCNAUFLT-UHFFFAOYSA-N
XLogP21.55
TPSA132.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001279.68
LogP ≤ 521.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one (CID 158534635) is 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one is C=CC(=O)n1c(C(C)C)cc2ccccc21.C=CC(=O)n1cc(C(C)C)c2ccccc21.C=CC(=O)n1ccc2c(C(C)C)cccc21.C=CC(=O)n1ccc2cc(C(C)C)ccc21.C=CC(=O)n1ccc2ccc(C(C)C)cc21.C=CC(=O)n1ccc2cccc(C(C)C)c21.
What is the InChIKey of 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one?
The InChIKey is HNUDHOCCNAUFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C14H15NO/c1-4-14(16)15-8-7-12-9-11(10(2)3)5-6-13(12)15;1-4-14(16)15-8-7-11-5-6-12(10(2)3)9-13(11)15;1-4-14(16)15-9-8-12-11(10(2)3)6-5-7-13(12)15;1-4-13(16)15-9-8-11-6-5-7-12(10(2)3)14(11)15;1-4-14(16)15-9-12(10(2)3)11-7-5-6-8-13(11)15;1-4-14(16)15-12-8-6-5-7-11(12)9-13(15)10(2)3/h6*4-10H,1H2,2-3H3.
What are the key properties of 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one?
1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one has a molecular weight of 1279.68 g/mol, XLogP of 21.55, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(3-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(5-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(6-propan-2-ylindol-1-yl)prop-2-en-1-one;1-(7-propan-2-ylindol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 158534635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).