2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide

C11H17N3O — CID 158112506

IUPAC2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.C=Cc1ncc[nH]1
InChIInChI=1S/C6H11NO.C5H6N2/c1-4-6(8)7-5(2)3;1-2-5-6-3-4-7-5/h4-5H,1H2,2-3H3,(H,7,8);2-4H,1H2,(H,6,7)
InChIKeyFQPKYKSLIOOIGW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.75
Rot. Bonds3

About 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide

2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide (PubChem CID 158112506) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide
PubChem CID158112506
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.C=Cc1ncc[nH]1
InChIInChI=1S/C6H11NO.C5H6N2/c1-4-6(8)7-5(2)3;1-2-5-6-3-4-7-5/h4-5H,1H2,2-3H3,(H,7,8);2-4H,1H2,(H,6,7)
InChIKeyFQPKYKSLIOOIGW-UHFFFAOYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.75
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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Related Compounds

N-[(1S)-1-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 167887556
2-ethenyl-1H-imidazole;phosphoric acid
CID 157353127
sodium N-propan-2-ylprop-2-enamide
CID 19004870
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
1-(1H-imidazol-2-yl)-3-propan-2-ylurea
CID 63564076
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide
CID 131898376
6-(dimethylamino)-2-methylhex-2-enamide;2-ethenyl-1H-imidazole
CID 67763538
3-(1H-imidazol-2-ylmethylamino)-N-propan-2-ylbutanamide
CID 115655790
phenyl prop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 175166884
[2-hydroxy-1-(prop-2-enoylamino)propyl]-trimethylazanium
CID 19836216

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide (CID 158112506) is 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide is C=CC(=O)NC(C)C.C=Cc1ncc[nH]1.
What is the InChIKey of 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide?
The InChIKey is FQPKYKSLIOOIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H6N2/c1-4-6(8)7-5(2)3;1-2-5-6-3-4-7-5/h4-5H,1H2,2-3H3,(H,7,8);2-4H,1H2,(H,6,7).
What are the key properties of 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide?
2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide has a molecular weight of 207.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 158112506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).