(2Z)-8-imino-7-methylcyclooct-2-en-1-one

C9H13NO — CID 123871733

IUPAC(2Z)-8-imino-7-methylcyclooct-2-en-1-one
SMILES[H]/N=C1/C(=O)/C=C\CCCC1C
InChIInChI=1S/C9H13NO/c1-7-5-3-2-4-6-8(11)9(7)10/h4,6-7,10H,2-3,5H2,1H3/b6-4-,10-9+
InChIKeyRSBQOLOFVPGKMW-JWUZIXNGSA-N
MW151.21 g/mol
LogP1.95
Rot. Bonds

About (2Z)-8-imino-7-methylcyclooct-2-en-1-one

(2Z)-8-imino-7-methylcyclooct-2-en-1-one (PubChem CID 123871733) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2Z)-8-imino-7-methylcyclooct-2-en-1-one.

Molecular Properties

Compound Name(2Z)-8-imino-7-methylcyclooct-2-en-1-one
PubChem CID123871733
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2Z)-8-imino-7-methylcyclooct-2-en-1-one
SMILES[H]/N=C1/C(=O)/C=C\CCCC1C
InChIInChI=1S/C9H13NO/c1-7-5-3-2-4-6-8(11)9(7)10/h4,6-7,10H,2-3,5H2,1H3/b6-4-,10-9+
InChIKeyRSBQOLOFVPGKMW-JWUZIXNGSA-N
XLogP1.95
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethyl-1,4-benzoquinonimine
CID 129743105
Diethylbenzoquinonimine
CID 129850744
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CID 166174992
4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
4-Iminobicyclo[4.2.0]oct-5-en-7-one
CID 57029178
4,6-Diimino-3,5-dimethylcyclohex-2-en-1-one
CID 57207871
1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
2-Imino-6-methyldec-8-en-3-one
CID 90885707
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one
CID 91262997
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
4,5-Dimethyl-6-propanimidoyldeca-1,6-dien-3-one
CID 123237655

Frequently Asked Questions

What is the IUPAC name of (2Z)-8-imino-7-methylcyclooct-2-en-1-one?
The IUPAC name of (2Z)-8-imino-7-methylcyclooct-2-en-1-one (CID 123871733) is (2Z)-8-imino-7-methylcyclooct-2-en-1-one.
What is the SMILES notation for (2Z)-8-imino-7-methylcyclooct-2-en-1-one?
The canonical SMILES for (2Z)-8-imino-7-methylcyclooct-2-en-1-one is [H]/N=C1/C(=O)/C=C\CCCC1C.
What is the InChIKey of (2Z)-8-imino-7-methylcyclooct-2-en-1-one?
The InChIKey is RSBQOLOFVPGKMW-JWUZIXNGSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-5-3-2-4-6-8(11)9(7)10/h4,6-7,10H,2-3,5H2,1H3/b6-4-,10-9+.
What are the key properties of (2Z)-8-imino-7-methylcyclooct-2-en-1-one?
(2Z)-8-imino-7-methylcyclooct-2-en-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8-imino-7-methylcyclooct-2-en-1-one is sourced from PubChem (CID 123871733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).