3-(2-oxopropylamino)cyclohex-2-en-1-one

C9H13NO2 — CID 86092292

IUPAC3-(2-oxopropylamino)cyclohex-2-en-1-one
SMILESCC(=O)CNC1=CC(=O)CCC1
InChIInChI=1S/C9H13NO2/c1-7(11)6-10-8-3-2-4-9(12)5-8/h5,10H,2-4,6H2,1H3
InChIKeyFNMPHLDGDQNBQB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.80
Rot. Bonds3

About 3-(2-oxopropylamino)cyclohex-2-en-1-one

3-(2-oxopropylamino)cyclohex-2-en-1-one (PubChem CID 86092292) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2-oxopropylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-oxopropylamino)cyclohex-2-en-1-one
PubChem CID86092292
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(2-oxopropylamino)cyclohex-2-en-1-one
SMILESCC(=O)CNC1=CC(=O)CCC1
InChIInChI=1S/C9H13NO2/c1-7(11)6-10-8-3-2-4-9(12)5-8/h5,10H,2-4,6H2,1H3
InChIKeyFNMPHLDGDQNBQB-UHFFFAOYSA-N
XLogP0.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropylamino)cyclohex-2-en-1-one?
The IUPAC name of 3-(2-oxopropylamino)cyclohex-2-en-1-one (CID 86092292) is 3-(2-oxopropylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-oxopropylamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2-oxopropylamino)cyclohex-2-en-1-one is CC(=O)CNC1=CC(=O)CCC1.
What is the InChIKey of 3-(2-oxopropylamino)cyclohex-2-en-1-one?
The InChIKey is FNMPHLDGDQNBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(11)6-10-8-3-2-4-9(12)5-8/h5,10H,2-4,6H2,1H3.
What are the key properties of 3-(2-oxopropylamino)cyclohex-2-en-1-one?
3-(2-oxopropylamino)cyclohex-2-en-1-one has a molecular weight of 167.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 86092292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).