(E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one

C11H19NO — CID 58825036

IUPAC(E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3/b9-8+
InChIKeyPPDVDNFZPYRBJB-CMDGGOBGSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds3

About (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one

(E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one (PubChem CID 58825036) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one
PubChem CID58825036
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3/b9-8+
InChIKeyPPDVDNFZPYRBJB-CMDGGOBGSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-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

1-Cyclohexyl-3-(dimethylamino)prop-2-en-1-one
CID 69155859
2-[(Dimethylamino)methylidene]-6-methylcyclohexan-1-one
CID 13661716
(E)-3-(dimethylamino)-1-(2-fluorocycloheptyl)prop-2-en-1-one
CID 155237204
2-(Dimethylaminomethylidene)-5-ethylcyclohexane-1,3-dione
CID 67982640
2-(Dimethylaminomethylidene)-5-propylcyclohexane-1,3-dione
CID 146648039
1-[(4R)-4-butyl-1-propan-2-yl-4H-pyridin-3-yl]pentan-1-one
CID 51355522
1-Methyl-1-azaspiro[5.5]undec-2-en-4-one
CID 10631199
2-[3-(Dimethylamino)prop-2-enoyl]-5,5-dimethylcyclohexane-1,3-dione
CID 4976851
2-[(E)-3-(dimethylamino)prop-2-enoyl]-5,5-dimethylcyclohexane-1,3-dione
CID 6238043
(E)-1-(dimethylamino)non-1-en-3-one
CID 12347204
(2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one
CID 12838021
(E)-1-(dimethylamino)dec-1-en-3-one
CID 13434191

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one (CID 58825036) is (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one is CN(C)/C=C/C(=O)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is PPDVDNFZPYRBJB-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3/b9-8+.
What are the key properties of (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one?
(E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 58825036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).