1-ethenylpyrrolidin-2-one;prop-2-en-1-amine

C9H16N2O — CID 134564650

IUPAC1-ethenylpyrrolidin-2-one;prop-2-en-1-amine
SMILESC=CCN.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C3H7N/c1-2-7-5-3-4-6(7)8;1-2-3-4/h2H,1,3-5H2;2H,1,3-4H2
InChIKeyAHCHTZKDDAMMNF-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.88
Rot. Bonds2

About 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine

1-ethenylpyrrolidin-2-one;prop-2-en-1-amine (PubChem CID 134564650) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;prop-2-en-1-amine
PubChem CID134564650
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-ethenylpyrrolidin-2-one;prop-2-en-1-amine
SMILESC=CCN.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C3H7N/c1-2-7-5-3-4-6(7)8;1-2-3-4/h2H,1,3-5H2;2H,1,3-4H2
InChIKeyAHCHTZKDDAMMNF-UHFFFAOYSA-N
XLogP0.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.88
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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine?
The IUPAC name of 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine (CID 134564650) is 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine is C=CCN.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine?
The InChIKey is AHCHTZKDDAMMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H7N/c1-2-7-5-3-4-6(7)8;1-2-3-4/h2H,1,3-5H2;2H,1,3-4H2.
What are the key properties of 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine?
1-ethenylpyrrolidin-2-one;prop-2-en-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;prop-2-en-1-amine is sourced from PubChem (CID 134564650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).