5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide

C11H18N2O2 — CID 15991840

IUPAC5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)C1CCC(=O)N1C(C)C
InChIInChI=1S/C11H18N2O2/c1-4-7-12-11(15)9-5-6-10(14)13(9)8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,12,15)
InChIKeyKFCOFVKLOPVSQD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds4

About 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide

5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 15991840) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID15991840
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)C1CCC(=O)N1C(C)C
InChIInChI=1S/C11H18N2O2/c1-4-7-12-11(15)9-5-6-10(14)13(9)8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,12,15)
InChIKeyKFCOFVKLOPVSQD-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide (CID 15991840) is 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCNC(=O)C1CCC(=O)N1C(C)C.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is KFCOFVKLOPVSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-7-12-11(15)9-5-6-10(14)13(9)8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,12,15).
What are the key properties of 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide?
5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 15991840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).