(6R)-2-imino-6-methyl-5-methylideneoctan-3-one

C10H17NO — CID 163421128

IUPAC(6R)-2-imino-6-methyl-5-methylideneoctan-3-one
SMILES[H]/N=C(\C)C(=O)CC(=C)[C@H](C)CC
InChIInChI=1S/C10H17NO/c1-5-7(2)8(3)6-10(12)9(4)11/h7,11H,3,5-6H2,1-2,4H3/b11-9+/t7-/m1/s1
InChIKeyAINWRUJMTLDSFK-UQHWUIMISA-N
MW167.25 g/mol
LogP2.59
Rot. Bonds5

About (6R)-2-imino-6-methyl-5-methylideneoctan-3-one

(6R)-2-imino-6-methyl-5-methylideneoctan-3-one (PubChem CID 163421128) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (6R)-2-imino-6-methyl-5-methylideneoctan-3-one.

Molecular Properties

Compound Name(6R)-2-imino-6-methyl-5-methylideneoctan-3-one
PubChem CID163421128
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(6R)-2-imino-6-methyl-5-methylideneoctan-3-one
SMILES[H]/N=C(\C)C(=O)CC(=C)[C@H](C)CC
InChIInChI=1S/C10H17NO/c1-5-7(2)8(3)6-10(12)9(4)11/h7,11H,3,5-6H2,1-2,4H3/b11-9+/t7-/m1/s1
InChIKeyAINWRUJMTLDSFK-UQHWUIMISA-N
XLogP2.59
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.59
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6R)-2-imino-6-methyl-5-methylideneoctan-3-one 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

(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
8-Imino-9-methyl-2-[(2-propylcyclohexyl)methyl]dec-1-en-3-one
CID 90933944
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303
4-Ethanimidoyl-2,5-dimethylhex-1-en-3-one
CID 123419651
6-Imino-2,7,9-trimethyl-1-(3-propylidenecyclobutylidene)decan-5-one
CID 123497107
8-Imino-3,9-dimethyl-7-methylidenedec-9-en-2-one
CID 123635742
8-Imino-3-methyl-7-methylidenedec-9-en-2-one
CID 123744513
(4R)-2-imino-4-prop-1-en-2-yloctan-3-one
CID 143367330
(Z,3S)-5-ethanimidoyl-3-methylhept-5-en-2-one
CID 144390543
(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one
CID 146182408

Frequently Asked Questions

What is the IUPAC name of (6R)-2-imino-6-methyl-5-methylideneoctan-3-one?
The IUPAC name of (6R)-2-imino-6-methyl-5-methylideneoctan-3-one (CID 163421128) is (6R)-2-imino-6-methyl-5-methylideneoctan-3-one.
What is the SMILES notation for (6R)-2-imino-6-methyl-5-methylideneoctan-3-one?
The canonical SMILES for (6R)-2-imino-6-methyl-5-methylideneoctan-3-one is [H]/N=C(\C)C(=O)CC(=C)[C@H](C)CC.
What is the InChIKey of (6R)-2-imino-6-methyl-5-methylideneoctan-3-one?
The InChIKey is AINWRUJMTLDSFK-UQHWUIMISA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7(2)8(3)6-10(12)9(4)11/h7,11H,3,5-6H2,1-2,4H3/b11-9+/t7-/m1/s1.
What are the key properties of (6R)-2-imino-6-methyl-5-methylideneoctan-3-one?
(6R)-2-imino-6-methyl-5-methylideneoctan-3-one has a molecular weight of 167.25 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-imino-6-methyl-5-methylideneoctan-3-one is sourced from PubChem (CID 163421128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).