4-methanimidoyl-5,5-dimethylhex-1-en-3-one

C9H15NO — CID 123444398

IUPAC4-methanimidoyl-5,5-dimethylhex-1-en-3-one
SMILES[H]/N=C/C(C(=O)C=C)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-8(11)7(6-10)9(2,3)4/h5-7,10H,1H2,2-4H3/b10-6+
InChIKeyJVILQRNUHYPIFR-UXBLZVDNSA-N
MW153.22 g/mol
LogP2.05
Rot. Bonds3

About 4-methanimidoyl-5,5-dimethylhex-1-en-3-one

4-methanimidoyl-5,5-dimethylhex-1-en-3-one (PubChem CID 123444398) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methanimidoyl-5,5-dimethylhex-1-en-3-one.

Molecular Properties

Compound Name4-methanimidoyl-5,5-dimethylhex-1-en-3-one
PubChem CID123444398
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methanimidoyl-5,5-dimethylhex-1-en-3-one
SMILES[H]/N=C/C(C(=O)C=C)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-8(11)7(6-10)9(2,3)4/h5-7,10H,1H2,2-4H3/b10-6+
InChIKeyJVILQRNUHYPIFR-UXBLZVDNSA-N
XLogP2.05
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.05
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'}

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Related Compounds

ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
4-methoxy-5,5-dimethylhex-1-en-3-one
CID 116709713
2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
CID 175907973
4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one
CID 173343952
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
tert-butyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132453
tris(prop-2-enoic acid);2,2,3-trimethylpentane
CID 175962971
4,4-dimethylpent-1-en-3-yl prop-2-enoate
CID 10749625
2-fluoro-3-iminopropanamide
CID 123604570
trimethyl(3-oxopent-4-en-2-yl)azanium chloride
CID 19359069
4,5-dihydroxyocta-1,7-diene-3,6-dione
CID 88509439
chloromethane;chromium;prop-2-enoic acid
CID 174311629

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-5,5-dimethylhex-1-en-3-one?
The IUPAC name of 4-methanimidoyl-5,5-dimethylhex-1-en-3-one (CID 123444398) is 4-methanimidoyl-5,5-dimethylhex-1-en-3-one.
What is the SMILES notation for 4-methanimidoyl-5,5-dimethylhex-1-en-3-one?
The canonical SMILES for 4-methanimidoyl-5,5-dimethylhex-1-en-3-one is [H]/N=C/C(C(=O)C=C)C(C)(C)C.
What is the InChIKey of 4-methanimidoyl-5,5-dimethylhex-1-en-3-one?
The InChIKey is JVILQRNUHYPIFR-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8(11)7(6-10)9(2,3)4/h5-7,10H,1H2,2-4H3/b10-6+.
What are the key properties of 4-methanimidoyl-5,5-dimethylhex-1-en-3-one?
4-methanimidoyl-5,5-dimethylhex-1-en-3-one has a molecular weight of 153.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-5,5-dimethylhex-1-en-3-one is sourced from PubChem (CID 123444398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).