N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide

C13H15NO2 — CID 90925920

IUPACN-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide
SMILESCC1=CCC2CC=CC=C2C=C1C(=O)NO
InChIInChI=1S/C13H15NO2/c1-9-6-7-10-4-2-3-5-11(10)8-12(9)13(15)14-16/h2-3,5-6,8,10,16H,4,7H2,1H3,(H,14,15)
InChIKeyAUSXKQCNBLHQTG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.27
Rot. Bonds1

About N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide

N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide (PubChem CID 90925920) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide
PubChem CID90925920
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide
SMILESCC1=CCC2CC=CC=C2C=C1C(=O)NO
InChIInChI=1S/C13H15NO2/c1-9-6-7-10-4-2-3-5-11(10)8-12(9)13(15)14-16/h2-3,5-6,8,10,16H,4,7H2,1H3,(H,14,15)
InChIKeyAUSXKQCNBLHQTG-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide 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

3-methyl-7,7a-dihydro-1H-indene
CID 90996575
3,4,4a,5,10,10a-hexahydroanthracene-1,2-dione
CID 56623957
1-acetyl-3a,4-dihydro-3H-indol-2-one
CID 151705115
(10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene
CID 173454949
1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone
CID 121005219
2,3,3a,4-tetrahydro-1H-indene-2-carboxylic acid
CID 141380689
3,6-dimethylcyclohexa-1,5-diene-1-carboxylic acid
CID 123404809
1,3,3a,4-tetrahydro-2-benzofuran-1-carboxylic acid
CID 66628500
N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide
CID 154124830
N-hydroxy-2H-pyran-6-carboxamide
CID 22485271
ethyl 2,3,3a,4-tetrahydro-1H-indole-2-carboxylate
CID 154520896
ethyl 3,4,4a,5-tetrahydro-2H-quinoline-1-carboxylate
CID 140970250

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide?
The IUPAC name of N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide (CID 90925920) is N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide.
What is the SMILES notation for N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide?
The canonical SMILES for N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide is CC1=CCC2CC=CC=C2C=C1C(=O)NO.
What is the InChIKey of N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide?
The InChIKey is AUSXKQCNBLHQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-6-7-10-4-2-3-5-11(10)8-12(9)13(15)14-16/h2-3,5-6,8,10,16H,4,7H2,1H3,(H,14,15).
What are the key properties of N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide?
N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-methyl-9,9a-dihydro-1H-benzo[7]annulene-6-carboxamide is sourced from PubChem (CID 90925920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).