6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one

C13H21NO — CID 123590001

IUPAC6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one
SMILES[H]/N=C1\C=CCC(CCCC(C)C)C(=O)C1
InChIInChI=1S/C13H21NO/c1-10(2)5-3-6-11-7-4-8-12(14)9-13(11)15/h4,8,10-11,14H,3,5-7,9H2,1-2H3/b14-12+
InChIKeyUPJCJKGUBSMMKY-WYMLVPIESA-N
MW207.32 g/mol
LogP3.37
Rot. Bonds4

About 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one

6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one (PubChem CID 123590001) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one.

Molecular Properties

Compound Name6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one
PubChem CID123590001
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one
SMILES[H]/N=C1\C=CCC(CCCC(C)C)C(=O)C1
InChIInChI=1S/C13H21NO/c1-10(2)5-3-6-11-7-4-8-12(14)9-13(11)15/h4,8,10-11,14H,3,5-7,9H2,1-2H3/b14-12+
InChIKeyUPJCJKGUBSMMKY-WYMLVPIESA-N
XLogP3.37
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
1-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-1-iminopropan-2-one
CID 89336565
5-[6-(Aminomethyl)-5-iminocyclohex-3-en-1-yl]-3-methylhexan-2-one
CID 90741095
(9E,12E)-13-ethyl-8-imino-4,9,10,15-tetramethyl-5-(3-methylbut-1-en-2-yl)hexadeca-9,12-dien-2-one
CID 90875133
2-Imino-6-methyldec-8-en-3-one
CID 90885707
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
8-Imino-1,3,5,8a-tetrahydronaphthalen-2-one
CID 91425909
(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
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303
3-Imino-2-(2-methylhexa-3,5-dienyl)cyclohexan-1-one
CID 123323603
(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one
CID 123433659

Frequently Asked Questions

What is the IUPAC name of 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one?
The IUPAC name of 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one (CID 123590001) is 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one.
What is the SMILES notation for 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one?
The canonical SMILES for 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one is [H]/N=C1\C=CCC(CCCC(C)C)C(=O)C1.
What is the InChIKey of 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one?
The InChIKey is UPJCJKGUBSMMKY-WYMLVPIESA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)5-3-6-11-7-4-8-12(14)9-13(11)15/h4,8,10-11,14H,3,5-7,9H2,1-2H3/b14-12+.
What are the key properties of 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one?
6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one has a molecular weight of 207.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2-(4-methylpentyl)cyclohept-4-en-1-one is sourced from PubChem (CID 123590001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).