4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide

C10H12Cl2N2O — CID 114618630

IUPAC4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
SMILESC=C(C)CNC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C10H12Cl2N2O/c1-6(2)5-13-10(15)8-4-7(11)9(12)14(8)3/h4H,1,5H2,2-3H3,(H,13,15)
InChIKeyUTCIDWLHKIKAIW-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.64
Rot. Bonds3

About 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide

4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide (PubChem CID 114618630) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
PubChem CID114618630
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
SMILESC=C(C)CNC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C10H12Cl2N2O/c1-6(2)5-13-10(15)8-4-7(11)9(12)14(8)3/h4H,1,5H2,2-3H3,(H,13,15)
InChIKeyUTCIDWLHKIKAIW-UHFFFAOYSA-N
XLogP2.64
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674269
4,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 65112242
4,5-dichloro-N-(3-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 111460726
4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614945
4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 66178501
4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 103862250
2-[carboxymethyl-(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]acetic acid
CID 63650833
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 43171651
N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 99796213
4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 78870041
4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 71858686
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide (CID 114618630) is 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide is C=C(C)CNC(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
The InChIKey is UTCIDWLHKIKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-6(2)5-13-10(15)8-4-7(11)9(12)14(8)3/h4H,1,5H2,2-3H3,(H,13,15).
What are the key properties of 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide?
4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide has a molecular weight of 247.12 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114618630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).