2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one

C14H15NO2 — CID 12673419

IUPAC2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
SMILESCOc1ccc2[nH]c3c(c2c1)CCCCC3=O
InChIInChI=1S/C14H15NO2/c1-17-9-6-7-12-11(8-9)10-4-2-3-5-13(16)14(10)15-12/h6-8,15H,2-5H2,1H3
InChIKeyNEYDQTQVCPXIMX-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.09
Rot. Bonds1

About 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one

2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one (PubChem CID 12673419) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one.

Molecular Properties

Compound Name2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
PubChem CID12673419
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
SMILESCOc1ccc2[nH]c3c(c2c1)CCCCC3=O
InChIInChI=1S/C14H15NO2/c1-17-9-6-7-12-11(8-9)10-4-2-3-5-13(16)14(10)15-12/h6-8,15H,2-5H2,1H3
InChIKeyNEYDQTQVCPXIMX-UHFFFAOYSA-N
XLogP3.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
CID 131885395
CID 131885395
6-methoxy-1,2-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium
CID 102446924
6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
CID 135534458
8-methoxy-6,11-dihydro-5H-benzo[a]carbazol-4-ol
CID 121005504
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
[6-(4-methoxyphenoxy)-2,3,4,9-tetrahydrocarbazol-1-ylidene]hydrazine
CID 136914339
7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 54166241
6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
CID 84742547
8-methoxy-1,2,3,5-tetrahydrocyclopenta[b]acridin-10-one
CID 15309879
(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide
CID 24852332
2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
CID 136594970

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one?
The IUPAC name of 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one (CID 12673419) is 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one.
What is the SMILES notation for 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one?
The canonical SMILES for 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one is COc1ccc2[nH]c3c(c2c1)CCCCC3=O.
What is the InChIKey of 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one?
The InChIKey is NEYDQTQVCPXIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-9-6-7-12-11(8-9)10-4-2-3-5-13(16)14(10)15-12/h6-8,15H,2-5H2,1H3.
What are the key properties of 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one?
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one has a molecular weight of 229.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one is sourced from PubChem (CID 12673419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).