7-ethyl-3-methyl-1H-indole

C11H13N — CID 13271010

IUPAC7-ethyl-3-methyl-1H-indole
SMILESCCc1cccc2c(C)c[nH]c12
InChIInChI=1S/C11H13N/c1-3-9-5-4-6-10-8(2)7-12-11(9)10/h4-7,12H,3H2,1-2H3
InChIKeyPKMOATIIHVNEID-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.04
Rot. Bonds1

About 7-ethyl-3-methyl-1H-indole

7-ethyl-3-methyl-1H-indole (PubChem CID 13271010) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 7-ethyl-3-methyl-1H-indole.

Molecular Properties

Compound Name7-ethyl-3-methyl-1H-indole
PubChem CID13271010
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name7-ethyl-3-methyl-1H-indole
SMILESCCc1cccc2c(C)c[nH]c12
InChIInChI=1S/C11H13N/c1-3-9-5-4-6-10-8(2)7-12-11(9)10/h4-7,12H,3H2,1-2H3
InChIKeyPKMOATIIHVNEID-UHFFFAOYSA-N
XLogP3.04
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-methyl-1H-indol-7-yl)propan-2-one
CID 117205247
2-(3-methyl-1H-indol-7-yl)ethanamine
CID 76846888
3-(3-methyl-1H-indol-7-yl)propanoic acid
CID 66917746
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339292
7-ethyl-3-[1-(7-ethyl-1H-indol-3-yl)-1-phenylethyl]-1H-indole
CID 101349475
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
7-fluoro-3-methyl-1H-indole
CID 55287812
1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine
CID 76846668
1-(7-ethyl-1H-indol-3-yl)butan-2-amine
CID 154181307
7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 101447638

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-1H-indole?
The IUPAC name of 7-ethyl-3-methyl-1H-indole (CID 13271010) is 7-ethyl-3-methyl-1H-indole.
What is the SMILES notation for 7-ethyl-3-methyl-1H-indole?
The canonical SMILES for 7-ethyl-3-methyl-1H-indole is CCc1cccc2c(C)c[nH]c12.
What is the InChIKey of 7-ethyl-3-methyl-1H-indole?
The InChIKey is PKMOATIIHVNEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-9-5-4-6-10-8(2)7-12-11(9)10/h4-7,12H,3H2,1-2H3.
What are the key properties of 7-ethyl-3-methyl-1H-indole?
7-ethyl-3-methyl-1H-indole has a molecular weight of 159.23 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-1H-indole is sourced from PubChem (CID 13271010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).