azane;1-prop-2-enylpyrrolidin-2-one

C7H14N2O — CID 174828980

IUPACazane;1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CCCC1=O.N
InChIInChI=1S/C7H11NO.H3N/c1-2-5-8-6-3-4-7(8)9;/h2H,1,3-6H2;1H3
InChIKeyQTZDAXLABCITGC-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.96
Rot. Bonds2

About azane;1-prop-2-enylpyrrolidin-2-one

azane;1-prop-2-enylpyrrolidin-2-one (PubChem CID 174828980) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is azane;1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Nameazane;1-prop-2-enylpyrrolidin-2-one
PubChem CID174828980
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Nameazane;1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CCCC1=O.N
InChIInChI=1S/C7H11NO.H3N/c1-2-5-8-6-3-4-7(8)9;/h2H,1,3-6H2;1H3
InChIKeyQTZDAXLABCITGC-UHFFFAOYSA-N
XLogP0.96
TPSA55.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbamodithioic acid;1-prop-2-enylpyrrolidin-2-one
CID 175478973
1-(3-aminoprop-2-enyl)pyrrolidin-2-one
CID 67120003
1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one
CID 87276105
1-but-3-enylpiperidin-2-one
CID 14225189
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
1-(3-aminoprop-2-enyl)piperidin-2-one
CID 67823451
1-undec-10-enylpiperidin-2-one
CID 23295884
(2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine
CID 6365438
1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one
CID 56986505
1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride
CID 141325975
2-ethyl-4-(2-oxopyrrolidin-1-yl)but-2-enoic acid
CID 77100831
(5S)-5-(4-methylpiperidin-1-yl)-1-prop-2-enylazepan-2-one
CID 125165496

Frequently Asked Questions

What is the IUPAC name of azane;1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of azane;1-prop-2-enylpyrrolidin-2-one (CID 174828980) is azane;1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for azane;1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for azane;1-prop-2-enylpyrrolidin-2-one is C=CCN1CCCC1=O.N.
What is the InChIKey of azane;1-prop-2-enylpyrrolidin-2-one?
The InChIKey is QTZDAXLABCITGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.H3N/c1-2-5-8-6-3-4-7(8)9;/h2H,1,3-6H2;1H3.
What are the key properties of azane;1-prop-2-enylpyrrolidin-2-one?
azane;1-prop-2-enylpyrrolidin-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 174828980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).