11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one

C14H15NO — CID 24977612

IUPAC11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one
SMILESCc1c2n(c3ccccc13)CCCCC2=O
InChIInChI=1S/C14H15NO/c1-10-11-6-2-3-7-12(11)15-9-5-4-8-13(16)14(10)15/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyIYMOQPQBIRBCMB-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.32
Rot. Bonds

About 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one

11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one (PubChem CID 24977612) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one.

Molecular Properties

Compound Name11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one
PubChem CID24977612
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one
SMILESCc1c2n(c3ccccc13)CCCCC2=O
InChIInChI=1S/C14H15NO/c1-10-11-6-2-3-7-12(11)15-9-5-4-8-13(16)14(10)15/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyIYMOQPQBIRBCMB-UHFFFAOYSA-N
XLogP3.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
CID 13376759
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
CID 10442668
10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 58315233
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 19599427
8,9-dihydro-7H-pyrido[2,1-b]quinazoline-6,11-dione
CID 11275922
(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 56838054
11-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole
CID 12864595
4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one
CID 53359870
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
11-phenyl-3,4-dihydro-2H-benzo[g]quinolizine-1,6-dione
CID 21463125
(4-methylnaphthalen-1-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 66764509
1,11-dimethyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole
CID 71370609

Frequently Asked Questions

What is the IUPAC name of 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one?
The IUPAC name of 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one (CID 24977612) is 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one.
What is the SMILES notation for 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one?
The canonical SMILES for 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one is Cc1c2n(c3ccccc13)CCCCC2=O.
What is the InChIKey of 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one?
The InChIKey is IYMOQPQBIRBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-11-6-2-3-7-12(11)15-9-5-4-8-13(16)14(10)15/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one?
11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one has a molecular weight of 213.28 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one is sourced from PubChem (CID 24977612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).