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

C11H19NO — CID 69155859

IUPAC1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=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
InChIKeyPPDVDNFZPYRBJB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds3

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

1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one (PubChem CID 69155859) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one
PubChem CID69155859
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=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
InChIKeyPPDVDNFZPYRBJB-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of 1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one (CID 69155859) is 1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for 1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one is CN(C)C=CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is PPDVDNFZPYRBJB-UHFFFAOYSA-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.
What are the key properties of 1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one?
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 1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 69155859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).