1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole

C23H27N — CID 134962129

IUPAC1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole
SMILESCCCC[C@@](C)(/C=C/c1ccccc1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C23H27N/c1-4-5-15-23(2,16-13-19-9-7-6-8-10-19)21-11-12-22-20(18-21)14-17-24(22)3/h6-14,16-18H,4-5,15H2,1-3H3/b16-13+/t23-/m0/s1
InChIKeySASRDZZYZOOBOR-IGVGMEOHSA-N
MW317.48 g/mol
LogP6.34
Rot. Bonds6

About 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole

1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole (PubChem CID 134962129) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole.

Molecular Properties

Compound Name1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole
PubChem CID134962129
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole
SMILESCCCC[C@@](C)(/C=C/c1ccccc1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C23H27N/c1-4-5-15-23(2,16-13-19-9-7-6-8-10-19)21-11-12-22-20(18-21)14-17-24(22)3/h6-14,16-18H,4-5,15H2,1-3H3/b16-13+/t23-/m0/s1
InChIKeySASRDZZYZOOBOR-IGVGMEOHSA-N
XLogP6.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole 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-2-(1-methylindol-5-yl)propan-1-ol
CID 117291936
3,3-dimethylnon-1-enylbenzene
CID 173227599
4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 89345012
1-methyl-6-(2-phenylbutan-2-yl)indole
CID 174566819
[(E,4S)-4-methylnon-2-en-4-yl]benzene
CID 101254578
6-[(E)-2-phenylethenyl]undecan-6-ol
CID 16664378
2-nitro-2-(2-phenylethenyl)hexanal
CID 173217643
(3-methoxy-3-methyldodec-1-enyl)benzene
CID 152539606
N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 90305123
2-methyl-2,4-diphenylbut-3-enal
CID 154114517
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine
CID 70641823

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole?
The IUPAC name of 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole (CID 134962129) is 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole.
What is the SMILES notation for 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole?
The canonical SMILES for 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole is CCCC[C@@](C)(/C=C/c1ccccc1)c1ccc2c(ccn2C)c1.
What is the InChIKey of 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole?
The InChIKey is SASRDZZYZOOBOR-IGVGMEOHSA-N. The full InChI is InChI=1S/C23H27N/c1-4-5-15-23(2,16-13-19-9-7-6-8-10-19)21-11-12-22-20(18-21)14-17-24(22)3/h6-14,16-18H,4-5,15H2,1-3H3/b16-13+/t23-/m0/s1.
What are the key properties of 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole?
1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole has a molecular weight of 317.48 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole is sourced from PubChem (CID 134962129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).