(6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one

C13H15NO2 — CID 125494518

IUPAC(6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESCc1cc2c(cc1C)C(=O)/C(=N\O)CCC2
InChIInChI=1S/C13H15NO2/c1-8-6-10-4-3-5-12(14-16)13(15)11(10)7-9(8)2/h6-7,16H,3-5H2,1-2H3/b14-12-
InChIKeyHLRGBMXHJNMYGW-OWBHPGMISA-N
MW217.27 g/mol
LogP2.65
Rot. Bonds

About (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one

(6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one (PubChem CID 125494518) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one.

Molecular Properties

Compound Name(6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one
PubChem CID125494518
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESCc1cc2c(cc1C)C(=O)/C(=N\O)CCC2
InChIInChI=1S/C13H15NO2/c1-8-6-10-4-3-5-12(14-16)13(15)11(10)7-9(8)2/h6-7,16H,3-5H2,1-2H3/b14-12-
InChIKeyHLRGBMXHJNMYGW-OWBHPGMISA-N
XLogP2.65
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 173464741
N-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 139781117
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one
CID 71336504
(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 14976592
5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol
CID 136592041
(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 145095374
(2E)-2-[(E)-(2,3-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinylidene]-1,3-thiazinan-4-one
CID 146028411
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 55297419
(2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one
CID 168830521
(NZ)-N-[(2E)-2-hydroxyiminocyclopentylidene]hydroxylamine
CID 135983124

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one?
The IUPAC name of (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one (CID 125494518) is (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one.
What is the SMILES notation for (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one?
The canonical SMILES for (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one is Cc1cc2c(cc1C)C(=O)/C(=N\O)CCC2.
What is the InChIKey of (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one?
The InChIKey is HLRGBMXHJNMYGW-OWBHPGMISA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-6-10-4-3-5-12(14-16)13(15)11(10)7-9(8)2/h6-7,16H,3-5H2,1-2H3/b14-12-.
What are the key properties of (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one?
(6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one has a molecular weight of 217.27 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one is sourced from PubChem (CID 125494518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).