N,N-dimethylprop-2-enamide;pyrrolidin-2-one

C9H16N2O2 — CID 67945014

IUPACN,N-dimethylprop-2-enamide;pyrrolidin-2-one
SMILESC=CC(=O)N(C)C.O=C1CCCN1
InChIInChI=1S/C5H9NO.C4H7NO/c1-4-5(7)6(2)3;6-4-2-1-3-5-4/h4H,1H2,2-3H3;1-3H2,(H,5,6)
InChIKeyNKFUYSQBMXCFTR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.16
Rot. Bonds1

About N,N-dimethylprop-2-enamide;pyrrolidin-2-one

N,N-dimethylprop-2-enamide;pyrrolidin-2-one (PubChem CID 67945014) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;pyrrolidin-2-one.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;pyrrolidin-2-one
PubChem CID67945014
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN,N-dimethylprop-2-enamide;pyrrolidin-2-one
SMILESC=CC(=O)N(C)C.O=C1CCCN1
InChIInChI=1S/C5H9NO.C4H7NO/c1-4-5(7)6(2)3;6-4-2-1-3-5-4/h4H,1H2,2-3H3;1-3H2,(H,5,6)
InChIKeyNKFUYSQBMXCFTR-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
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,N-dimethylprop-2-enamide;pyrrolidin-2-one?
The IUPAC name of N,N-dimethylprop-2-enamide;pyrrolidin-2-one (CID 67945014) is N,N-dimethylprop-2-enamide;pyrrolidin-2-one.
What is the SMILES notation for N,N-dimethylprop-2-enamide;pyrrolidin-2-one?
The canonical SMILES for N,N-dimethylprop-2-enamide;pyrrolidin-2-one is C=CC(=O)N(C)C.O=C1CCCN1.
What is the InChIKey of N,N-dimethylprop-2-enamide;pyrrolidin-2-one?
The InChIKey is NKFUYSQBMXCFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H7NO/c1-4-5(7)6(2)3;6-4-2-1-3-5-4/h4H,1H2,2-3H3;1-3H2,(H,5,6).
What are the key properties of N,N-dimethylprop-2-enamide;pyrrolidin-2-one?
N,N-dimethylprop-2-enamide;pyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;pyrrolidin-2-one is sourced from PubChem (CID 67945014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).