N-propylprop-2-enamide;pyrrolidin-2-one

C10H18N2O2 — CID 174994372

IUPACN-propylprop-2-enamide;pyrrolidin-2-one
SMILESC=CC(=O)NCCC.O=C1CCCN1
InChIInChI=1S/C6H11NO.C4H7NO/c1-3-5-7-6(8)4-2;6-4-2-1-3-5-4/h4H,2-3,5H2,1H3,(H,7,8);1-3H2,(H,5,6)
InChIKeyPGAPBKNQGGOAFT-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.60
Rot. Bonds3

About N-propylprop-2-enamide;pyrrolidin-2-one

N-propylprop-2-enamide;pyrrolidin-2-one (PubChem CID 174994372) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-propylprop-2-enamide;pyrrolidin-2-one.

Molecular Properties

Compound NameN-propylprop-2-enamide;pyrrolidin-2-one
PubChem CID174994372
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-propylprop-2-enamide;pyrrolidin-2-one
SMILESC=CC(=O)NCCC.O=C1CCCN1
InChIInChI=1S/C6H11NO.C4H7NO/c1-3-5-7-6(8)4-2;6-4-2-1-3-5-4/h4H,2-3,5H2,1H3,(H,7,8);1-3H2,(H,5,6)
InChIKeyPGAPBKNQGGOAFT-UHFFFAOYSA-N
XLogP0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propylprop-2-enamide;pyrrolidin-2-one?
The IUPAC name of N-propylprop-2-enamide;pyrrolidin-2-one (CID 174994372) is N-propylprop-2-enamide;pyrrolidin-2-one.
What is the SMILES notation for N-propylprop-2-enamide;pyrrolidin-2-one?
The canonical SMILES for N-propylprop-2-enamide;pyrrolidin-2-one is C=CC(=O)NCCC.O=C1CCCN1.
What is the InChIKey of N-propylprop-2-enamide;pyrrolidin-2-one?
The InChIKey is PGAPBKNQGGOAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H7NO/c1-3-5-7-6(8)4-2;6-4-2-1-3-5-4/h4H,2-3,5H2,1H3,(H,7,8);1-3H2,(H,5,6).
What are the key properties of N-propylprop-2-enamide;pyrrolidin-2-one?
N-propylprop-2-enamide;pyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylprop-2-enamide;pyrrolidin-2-one is sourced from PubChem (CID 174994372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).