2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one

C11H17NO2 — CID 3818925

IUPAC2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one
SMILESCN(C)C=CC(=O)C1CCCCC1=O
InChIInChI=1S/C11H17NO2/c1-12(2)8-7-11(14)9-5-3-4-6-10(9)13/h7-9H,3-6H2,1-2H3
InChIKeyIFEPKNQVEZGKNV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds3

About 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one

2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one (PubChem CID 3818925) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one
PubChem CID3818925
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one
SMILESCN(C)C=CC(=O)C1CCCCC1=O
InChIInChI=1S/C11H17NO2/c1-12(2)8-7-11(14)9-5-3-4-6-10(9)13/h7-9H,3-6H2,1-2H3
InChIKeyIFEPKNQVEZGKNV-UHFFFAOYSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-acetylcyclododecan-1-one
CID 4255606
N-methoxy-N-methyl-2-oxocyclohexane-1-carboxamide
CID 11789909
2-oxocyclodecane-1-carboxylic acid
CID 123244832
2-oxocyclohexane-1-carboxylic acid;zirconium
CID 175193773
(E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one
CID 131242801
1,6-bis(2-oxocyclohexyl)hexane-1,6-dione
CID 154092902
1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione
CID 92840383
(2S)-2-(2,2,2-trifluoroacetyl)cycloheptan-1-one
CID 98060988
2-oxocyclohexane-1-carbohydrazide
CID 45084441
2-oxocyclopentane-1-carbothioic S-acid
CID 19374959
2-(2,2,2-trichloroacetyl)cycloheptan-1-one
CID 101185737
2-(2-methoxypropanoyl)cycloheptan-1-one
CID 165483764

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one?
The IUPAC name of 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one (CID 3818925) is 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one?
The canonical SMILES for 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one is CN(C)C=CC(=O)C1CCCCC1=O.
What is the InChIKey of 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one?
The InChIKey is IFEPKNQVEZGKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12(2)8-7-11(14)9-5-3-4-6-10(9)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one?
2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)prop-2-enoyl]cyclohexan-1-one is sourced from PubChem (CID 3818925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).