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

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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).