2-methyl-1-propan-2-ylindole-6-carbaldehyde

C13H15NO — CID 117204814

IUPAC2-methyl-1-propan-2-ylindole-6-carbaldehyde
SMILESCc1cc2ccc(C=O)cc2n1C(C)C
InChIInChI=1S/C13H15NO/c1-9(2)14-10(3)6-12-5-4-11(8-15)7-13(12)14/h4-9H,1-3H3
InChIKeyAEQCJBHDPCNMDC-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.34
Rot. Bonds2

About 2-methyl-1-propan-2-ylindole-6-carbaldehyde

2-methyl-1-propan-2-ylindole-6-carbaldehyde (PubChem CID 117204814) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylindole-6-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylindole-6-carbaldehyde
PubChem CID117204814
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-methyl-1-propan-2-ylindole-6-carbaldehyde
SMILESCc1cc2ccc(C=O)cc2n1C(C)C
InChIInChI=1S/C13H15NO/c1-9(2)14-10(3)6-12-5-4-11(8-15)7-13(12)14/h4-9H,1-3H3
InChIKeyAEQCJBHDPCNMDC-UHFFFAOYSA-N
XLogP3.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-1-propan-2-ylindol-6-yl)propan-2-one
CID 117204811
9-propan-2-ylcarbazole-3-carbaldehyde
CID 16762077
3-(2-methyl-1-propan-2-ylindol-6-yl)propan-1-amine
CID 117204891
6-fluoro-1-propan-2-ylindole-2-carbaldehyde
CID 117122831
naphthalene-2,6-dicarbaldehyde
CID 159038637
2-propan-2-ylindazole-6-carbaldehyde
CID 84719145
6-methylnaphthalene-2-carbaldehyde
CID 6452268
6-methylanthracene-2-carbaldehyde
CID 156805593
5-chloro-1-propan-2-ylindole-2-carbaldehyde
CID 83917759
7-bromo-2-methyl-1-propan-2-ylindole
CID 68911786
1-(2-methylbutyl)indole-5-carbaldehyde
CID 102910471
3-chloro-1-propan-2-ylindole-5-carbaldehyde
CID 90356011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylindole-6-carbaldehyde?
The IUPAC name of 2-methyl-1-propan-2-ylindole-6-carbaldehyde (CID 117204814) is 2-methyl-1-propan-2-ylindole-6-carbaldehyde.
What is the SMILES notation for 2-methyl-1-propan-2-ylindole-6-carbaldehyde?
The canonical SMILES for 2-methyl-1-propan-2-ylindole-6-carbaldehyde is Cc1cc2ccc(C=O)cc2n1C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-ylindole-6-carbaldehyde?
The InChIKey is AEQCJBHDPCNMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)14-10(3)6-12-5-4-11(8-15)7-13(12)14/h4-9H,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylindole-6-carbaldehyde?
2-methyl-1-propan-2-ylindole-6-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylindole-6-carbaldehyde is sourced from PubChem (CID 117204814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).