3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one

C11H17NO — CID 104788025

IUPAC3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one
SMILESC=CCN(CCC)C1=CC(=O)CC1
InChIInChI=1S/C11H17NO/c1-3-7-12(8-4-2)10-5-6-11(13)9-10/h3,9H,1,4-8H2,2H3
InChIKeyPEOQNPPYSXIYSG-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds5

About 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one

3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one (PubChem CID 104788025) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one
PubChem CID104788025
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one
SMILESC=CCN(CCC)C1=CC(=O)CC1
InChIInChI=1S/C11H17NO/c1-3-7-12(8-4-2)10-5-6-11(13)9-10/h3,9H,1,4-8H2,2H3
InChIKeyPEOQNPPYSXIYSG-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(propyl)amino]cyclopent-2-en-1-one
CID 104787696
N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one
CID 102994053
3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 154691812
3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
CID 130992491
3-[2-hydroxyethyl(pentan-3-yl)amino]cyclopent-2-en-1-one
CID 104787817
3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one
CID 104787771
N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
CID 43283869
3-prop-2-enylcyclopent-2-en-1-one
CID 11988999
N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
4-[pentyl(prop-2-enyl)amino]benzaldehyde
CID 88509633
1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone
CID 83119863

Frequently Asked Questions

What is the IUPAC name of 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one (CID 104788025) is 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one is C=CCN(CCC)C1=CC(=O)CC1.
What is the InChIKey of 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one?
The InChIKey is PEOQNPPYSXIYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-7-12(8-4-2)10-5-6-11(13)9-10/h3,9H,1,4-8H2,2H3.
What are the key properties of 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one?
3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).