2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde

C16H17N3O — CID 115146241

IUPAC2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde
SMILESCN(CCc1cc[nH]c1)c1[nH]c2ccccc2c1C=O
InChIInChI=1S/C16H17N3O/c1-19(9-7-12-6-8-17-10-12)16-14(11-20)13-4-2-3-5-15(13)18-16/h2-6,8,10-11,17-18H,7,9H2,1H3
InChIKeyMWCOKUJKPCRDOH-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.99
Rot. Bonds5

About 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde

2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde (PubChem CID 115146241) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde
PubChem CID115146241
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde
SMILESCN(CCc1cc[nH]c1)c1[nH]c2ccccc2c1C=O
InChIInChI=1S/C16H17N3O/c1-19(9-7-12-6-8-17-10-12)16-14(11-20)13-4-2-3-5-15(13)18-16/h2-6,8,10-11,17-18H,7,9H2,1H3
InChIKeyMWCOKUJKPCRDOH-UHFFFAOYSA-N
XLogP2.99
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile
CID 115146409
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
CID 115223392
2-[3-(dimethylamino)propylsulfanyl]-1H-indole-3-carbaldehyde
CID 15399137
1-N,4-dimethyl-1-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115125150
2-N,3-dimethyl-2-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115126153
N-(2-chloroethyl)-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115215195
1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone
CID 115146277
2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
CID 87256999
1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone
CID 115146259
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792
2-(3-formyl-1H-indol-2-yl)butanoic acid
CID 139949570
2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115175244

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde?
The IUPAC name of 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde (CID 115146241) is 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde is CN(CCc1cc[nH]c1)c1[nH]c2ccccc2c1C=O.
What is the InChIKey of 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde?
The InChIKey is MWCOKUJKPCRDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(9-7-12-6-8-17-10-12)16-14(11-20)13-4-2-3-5-15(13)18-16/h2-6,8,10-11,17-18H,7,9H2,1H3.
What are the key properties of 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde?
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde has a molecular weight of 267.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 115146241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).