2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide

C11H18N2O — CID 115695289

IUPAC2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CC=CC1
InChIInChI=1S/C11H18N2O/c1-3-8-12-11(14)9(2)13-10-6-4-5-7-10/h3-5,9-10,13H,1,6-8H2,2H3,(H,12,14)
InChIKeyXDFIXABWFGLEEW-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.99
Rot. Bonds5

About 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide

2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide (PubChem CID 115695289) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide
PubChem CID115695289
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CC=CC1
InChIInChI=1S/C11H18N2O/c1-3-8-12-11(14)9(2)13-10-6-4-5-7-10/h3-5,9-10,13H,1,6-8H2,2H3,(H,12,14)
InChIKeyXDFIXABWFGLEEW-UHFFFAOYSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 60809074
N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide
CID 103062825
2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide
CID 115880295
2-[(3-methylsulfanylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 114123114
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
CID 63923148
2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 43087479
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
CID 43216208
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11924821
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide (CID 115695289) is 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC1CC=CC1.
What is the InChIKey of 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide?
The InChIKey is XDFIXABWFGLEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-8-12-11(14)9(2)13-10-6-4-5-7-10/h3-5,9-10,13H,1,6-8H2,2H3,(H,12,14).
What are the key properties of 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide?
2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide has a molecular weight of 194.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 115695289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).