2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one

C18H24N2O — CID 82256376

IUPAC2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
SMILESC=CCN(CC=C)C(CC)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C18H24N2O/c1-4-11-20(12-5-2)17(6-3)18(21)15-7-8-16-14(13-15)9-10-19-16/h4-5,7-8,13,17,19H,1-2,6,9-12H2,3H3
InChIKeyFCGWTINFZXZJMM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.29
Rot. Bonds8

About 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one

2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one (PubChem CID 82256376) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
PubChem CID82256376
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
SMILESC=CCN(CC=C)C(CC)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C18H24N2O/c1-4-11-20(12-5-2)17(6-3)18(21)15-7-8-16-14(13-15)9-10-19-16/h4-5,7-8,13,17,19H,1-2,6,9-12H2,3H3
InChIKeyFCGWTINFZXZJMM-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one (CID 82256376) is 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one is C=CCN(CC=C)C(CC)C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one?
The InChIKey is FCGWTINFZXZJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-11-20(12-5-2)17(6-3)18(21)15-7-8-16-14(13-15)9-10-19-16/h4-5,7-8,13,17,19H,1-2,6,9-12H2,3H3.
What are the key properties of 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one?
2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one has a molecular weight of 284.40 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one is sourced from PubChem (CID 82256376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).