3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one

C17H23NO — CID 68911149

IUPAC3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H23NO/c1-18(2)14-11-16(19)17(12-7-4-8-13-17)15-9-5-3-6-10-15/h3,5-6,9-11,14H,4,7-8,12-13H2,1-2H3
InChIKeyXORMPUVPQKAJIG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.53
Rot. Bonds4

About 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one

3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one (PubChem CID 68911149) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one
PubChem CID68911149
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H23NO/c1-18(2)14-11-16(19)17(12-7-4-8-13-17)15-9-5-3-6-10-15/h3,5-6,9-11,14H,4,7-8,12-13H2,1-2H3
InChIKeyXORMPUVPQKAJIG-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-imino-1-(1-phenylcyclohexyl)ethanone
CID 90858515
(Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one
CID 140592879
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol
CID 143461732
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
tert-butyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 66523359
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
CID 53312763
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one (CID 68911149) is 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one is CN(C)C=CC(=O)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one?
The InChIKey is XORMPUVPQKAJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-18(2)14-11-16(19)17(12-7-4-8-13-17)15-9-5-3-6-10-15/h3,5-6,9-11,14H,4,7-8,12-13H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one?
3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(1-phenylcyclohexyl)prop-2-en-1-one is sourced from PubChem (CID 68911149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).