2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one

C11H19N3O3 — CID 70008536

IUPAC2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one
SMILESC=C(C)C(N)=O.C=CC(N)=O.O=C1CCCN1
InChIInChI=1S/2C4H7NO.C3H5NO/c6-4-2-1-3-5-4;1-3(2)4(5)6;1-2-3(4)5/h1-3H2,(H,5,6);1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5)
InChIKeyBPNMVFAURNIYGE-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.40
Rot. Bonds2

About 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one

2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one (PubChem CID 70008536) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one.

Molecular Properties

Compound Name2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one
PubChem CID70008536
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one
SMILESC=C(C)C(N)=O.C=CC(N)=O.O=C1CCCN1
InChIInChI=1S/2C4H7NO.C3H5NO/c6-4-2-1-3-5-4;1-3(2)4(5)6;1-2-3(4)5/h1-3H2,(H,5,6);1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5)
InChIKeyBPNMVFAURNIYGE-UHFFFAOYSA-N
XLogP-0.40
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one?
The IUPAC name of 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one (CID 70008536) is 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one.
What is the SMILES notation for 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one?
The canonical SMILES for 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one is C=C(C)C(N)=O.C=CC(N)=O.O=C1CCCN1.
What is the InChIKey of 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one?
The InChIKey is BPNMVFAURNIYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO.C3H5NO/c6-4-2-1-3-5-4;1-3(2)4(5)6;1-2-3(4)5/h1-3H2,(H,5,6);1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5).
What are the key properties of 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one?
2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;prop-2-enamide;pyrrolidin-2-one is sourced from PubChem (CID 70008536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).