5-imino-2,2-dimethyl-4-methylidenehexan-3-one

C9H15NO — CID 143854044

IUPAC5-imino-2,2-dimethyl-4-methylidenehexan-3-one
SMILES[H]/N=C(\C)C(=C)C(=O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-6(7(2)10)8(11)9(3,4)5/h10H,1H2,2-5H3/b10-7+
InChIKeyQFEWUSCFZNJWRO-JXMROGBWSA-N
MW153.22 g/mol
LogP2.20
Rot. Bonds2

About 5-imino-2,2-dimethyl-4-methylidenehexan-3-one

5-imino-2,2-dimethyl-4-methylidenehexan-3-one (PubChem CID 143854044) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-imino-2,2-dimethyl-4-methylidenehexan-3-one.

Molecular Properties

Compound Name5-imino-2,2-dimethyl-4-methylidenehexan-3-one
PubChem CID143854044
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-imino-2,2-dimethyl-4-methylidenehexan-3-one
SMILES[H]/N=C(\C)C(=C)C(=O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-6(7(2)10)8(11)9(3,4)5/h10H,1H2,2-5H3/b10-7+
InChIKeyQFEWUSCFZNJWRO-JXMROGBWSA-N
XLogP2.20
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-imino-2,2-dimethyl-4-methylidenehexan-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

4-Ethyl-5-imino-2-methylhex-1-en-3-one
CID 123572705
5-Ethyl-6-imino-3-methylhepta-1,2-dien-4-one
CID 123757647
4-Imino-3-methylidenepentan-2-one
CID 141964336

Frequently Asked Questions

What is the IUPAC name of 5-imino-2,2-dimethyl-4-methylidenehexan-3-one?
The IUPAC name of 5-imino-2,2-dimethyl-4-methylidenehexan-3-one (CID 143854044) is 5-imino-2,2-dimethyl-4-methylidenehexan-3-one.
What is the SMILES notation for 5-imino-2,2-dimethyl-4-methylidenehexan-3-one?
The canonical SMILES for 5-imino-2,2-dimethyl-4-methylidenehexan-3-one is [H]/N=C(\C)C(=C)C(=O)C(C)(C)C.
What is the InChIKey of 5-imino-2,2-dimethyl-4-methylidenehexan-3-one?
The InChIKey is QFEWUSCFZNJWRO-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(7(2)10)8(11)9(3,4)5/h10H,1H2,2-5H3/b10-7+.
What are the key properties of 5-imino-2,2-dimethyl-4-methylidenehexan-3-one?
5-imino-2,2-dimethyl-4-methylidenehexan-3-one has a molecular weight of 153.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-2,2-dimethyl-4-methylidenehexan-3-one is sourced from PubChem (CID 143854044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).