4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide

C16H21N3O2 — CID 158831173

IUPAC4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide
SMILESC=CC(N)=O.C=CN1CCCC1=O.C=Cc1ccncc1
InChIInChI=1S/C7H7N.C6H9NO.C3H5NO/c1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-2-3(4)5/h2-6H,1H2;2H,1,3-5H2;2H,1H2,(H2,4,5)
InChIKeyIXBHCZSALVBCJP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds3

About 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide

4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide (PubChem CID 158831173) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide.

Molecular Properties

Compound Name4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide
PubChem CID158831173
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide
SMILESC=CC(N)=O.C=CN1CCCC1=O.C=Cc1ccncc1
InChIInChI=1S/C7H7N.C6H9NO.C3H5NO/c1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-2-3(4)5/h2-6H,1H2;2H,1,3-5H2;2H,1H2,(H2,4,5)
InChIKeyIXBHCZSALVBCJP-UHFFFAOYSA-N
XLogP2.13
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-ethenylimidazole;1-ethenyl-4-methylbenzene;4-ethenylpyridine;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide;styrene
CID 165005517

Frequently Asked Questions

What is the IUPAC name of 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide?
The IUPAC name of 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide (CID 158831173) is 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide.
What is the SMILES notation for 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide?
The canonical SMILES for 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide is C=CC(N)=O.C=CN1CCCC1=O.C=Cc1ccncc1.
What is the InChIKey of 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide?
The InChIKey is IXBHCZSALVBCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.C6H9NO.C3H5NO/c1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-2-3(4)5/h2-6H,1H2;2H,1,3-5H2;2H,1H2,(H2,4,5).
What are the key properties of 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide?
4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide has a molecular weight of 287.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpyridine;1-ethenylpyrrolidin-2-one;prop-2-enamide is sourced from PubChem (CID 158831173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).