4-(cyclohexylamino)-3-methylpent-3-en-2-one

C12H21NO — CID 74047718

IUPAC4-(cyclohexylamino)-3-methylpent-3-en-2-one
SMILESCC(=O)C(C)=C(C)NC1CCCCC1
InChIInChI=1S/C12H21NO/c1-9(11(3)14)10(2)13-12-7-5-4-6-8-12/h12-13H,4-8H2,1-3H3
InChIKeyCKZUSGASLIUZOJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.79
Rot. Bonds3

About 4-(cyclohexylamino)-3-methylpent-3-en-2-one

4-(cyclohexylamino)-3-methylpent-3-en-2-one (PubChem CID 74047718) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(cyclohexylamino)-3-methylpent-3-en-2-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-3-methylpent-3-en-2-one
PubChem CID74047718
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(cyclohexylamino)-3-methylpent-3-en-2-one
SMILESCC(=O)C(C)=C(C)NC1CCCCC1
InChIInChI=1S/C12H21NO/c1-9(11(3)14)10(2)13-12-7-5-4-6-8-12/h12-13H,4-8H2,1-3H3
InChIKeyCKZUSGASLIUZOJ-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.79
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

N-cyclohexyl-2-oxopropanamide
CID 12861109
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
CID 10878394
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956
1-cyclobutyl-3-cyclohexylurea
CID 17217147
methyl N-cyclohexadecylcarbamate
CID 131977131
cyclohexylurea;methanamine
CID 142108304
N-cyclooctylbutanamide
CID 4614062
N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
1-cycloheptyl-3-methoxyurea
CID 126986046
(E)-N-cyclohexyl-2-methylbut-2-enamide
CID 14316395
cyclohexylcarbamic acid;hydrate
CID 172719994

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-3-methylpent-3-en-2-one?
The IUPAC name of 4-(cyclohexylamino)-3-methylpent-3-en-2-one (CID 74047718) is 4-(cyclohexylamino)-3-methylpent-3-en-2-one.
What is the SMILES notation for 4-(cyclohexylamino)-3-methylpent-3-en-2-one?
The canonical SMILES for 4-(cyclohexylamino)-3-methylpent-3-en-2-one is CC(=O)C(C)=C(C)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylamino)-3-methylpent-3-en-2-one?
The InChIKey is CKZUSGASLIUZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(11(3)14)10(2)13-12-7-5-4-6-8-12/h12-13H,4-8H2,1-3H3.
What are the key properties of 4-(cyclohexylamino)-3-methylpent-3-en-2-one?
4-(cyclohexylamino)-3-methylpent-3-en-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-3-methylpent-3-en-2-one is sourced from PubChem (CID 74047718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).