6-amino-2-methyl-6-phenylhex-1-en-3-one

C13H17NO — CID 116570824

IUPAC6-amino-2-methyl-6-phenylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C13H17NO/c1-10(2)13(15)9-8-12(14)11-6-4-3-5-7-11/h3-7,12H,1,8-9,14H2,2H3
InChIKeyNJHIFGPFPUJIMM-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.61
Rot. Bonds5

About 6-amino-2-methyl-6-phenylhex-1-en-3-one

6-amino-2-methyl-6-phenylhex-1-en-3-one (PubChem CID 116570824) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-amino-2-methyl-6-phenylhex-1-en-3-one.

Molecular Properties

Compound Name6-amino-2-methyl-6-phenylhex-1-en-3-one
PubChem CID116570824
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-amino-2-methyl-6-phenylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C13H17NO/c1-10(2)13(15)9-8-12(14)11-6-4-3-5-7-11/h3-7,12H,1,8-9,14H2,2H3
InChIKeyNJHIFGPFPUJIMM-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(5-methyl-4-oxo-1-phenylhex-5-enyl)azanium chloride
CID 161017338
4-amino-1,4-diphenylbutan-1-one
CID 116570833
1-amino-5-methyl-1-phenylheptan-4-one
CID 116570769
1-amino-5-methyl-1-phenylhex-5-en-3-one
CID 116553116
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one
CID 116570738
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
CID 63324134
(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-6-phenylhex-1-en-3-one?
The IUPAC name of 6-amino-2-methyl-6-phenylhex-1-en-3-one (CID 116570824) is 6-amino-2-methyl-6-phenylhex-1-en-3-one.
What is the SMILES notation for 6-amino-2-methyl-6-phenylhex-1-en-3-one?
The canonical SMILES for 6-amino-2-methyl-6-phenylhex-1-en-3-one is C=C(C)C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 6-amino-2-methyl-6-phenylhex-1-en-3-one?
The InChIKey is NJHIFGPFPUJIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)13(15)9-8-12(14)11-6-4-3-5-7-11/h3-7,12H,1,8-9,14H2,2H3.
What are the key properties of 6-amino-2-methyl-6-phenylhex-1-en-3-one?
6-amino-2-methyl-6-phenylhex-1-en-3-one has a molecular weight of 203.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-6-phenylhex-1-en-3-one is sourced from PubChem (CID 116570824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).