5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one

C15H19NO — CID 2832876

IUPAC5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one
SMILESCC(C)(C)C(=O)C=C(N)C=Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-15(2,3)14(17)11-13(16)10-9-12-7-5-4-6-8-12/h4-11H,16H2,1-3H3
InChIKeyVCMCHYDUKRRPDD-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.16
Rot. Bonds3

About 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one

5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one (PubChem CID 2832876) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one.

Molecular Properties

Compound Name5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one
PubChem CID2832876
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one
SMILESCC(C)(C)C(=O)C=C(N)C=Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-15(2,3)14(17)11-13(16)10-9-12-7-5-4-6-8-12/h4-11H,16H2,1-3H3
InChIKeyVCMCHYDUKRRPDD-UHFFFAOYSA-N
XLogP3.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 54280187
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
CID 144969758
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide
CID 141243424
ethyl (E)-2,2-dimethyl-3-oxo-5-phenylpent-4-enoate
CID 102065413
tert-butyl (2E,4E)-3-methyl-5-phenylpenta-2,4-dienoate
CID 134982649
2-hydroxy-3-oxo-5-phenylpent-4-ene-2-sulfonic acid
CID 141200836
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one?
The IUPAC name of 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one (CID 2832876) is 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one.
What is the SMILES notation for 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one?
The canonical SMILES for 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one is CC(C)(C)C(=O)C=C(N)C=Cc1ccccc1.
What is the InChIKey of 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one?
The InChIKey is VCMCHYDUKRRPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2,3)14(17)11-13(16)10-9-12-7-5-4-6-8-12/h4-11H,16H2,1-3H3.
What are the key properties of 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one?
5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one has a molecular weight of 229.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one is sourced from PubChem (CID 2832876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).