4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide

C9H11FN2O — CID 126787465

IUPAC4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide
SMILESC=C(C)CNC(=O)c1cc(F)c[nH]1
InChIInChI=1S/C9H11FN2O/c1-6(2)4-12-9(13)8-3-7(10)5-11-8/h3,5,11H,1,4H2,2H3,(H,12,13)
InChIKeyCMNZHXPXGFDFMI-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.46
Rot. Bonds3

About 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide

4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide (PubChem CID 126787465) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide
PubChem CID126787465
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide
SMILESC=C(C)CNC(=O)c1cc(F)c[nH]1
InChIInChI=1S/C9H11FN2O/c1-6(2)4-12-9(13)8-3-7(10)5-11-8/h3,5,11H,1,4H2,2H3,(H,12,13)
InChIKeyCMNZHXPXGFDFMI-UHFFFAOYSA-N
XLogP1.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-1H-pyrrole-2-carboxamide
CID 130962748
N-but-3-ynyl-4-fluoro-1H-pyrrole-2-carboxamide
CID 130987822
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114614947
4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 130678031
4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129487962
5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide
CID 114618935
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032
5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide
CID 130778441
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114618630

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide (CID 126787465) is 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide is C=C(C)CNC(=O)c1cc(F)c[nH]1.
What is the InChIKey of 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide?
The InChIKey is CMNZHXPXGFDFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-6(2)4-12-9(13)8-3-7(10)5-11-8/h3,5,11H,1,4H2,2H3,(H,12,13).
What are the key properties of 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide?
4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide has a molecular weight of 182.20 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126787465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).