3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide

C10H14N2O — CID 131086310

IUPAC3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide
SMILESC=CCNC(=O)c1[nH]c(C)cc1C
InChIInChI=1S/C10H14N2O/c1-4-5-11-10(13)9-7(2)6-8(3)12-9/h4,6,12H,1,5H2,2-3H3,(H,11,13)
InChIKeyXXJDIOCLMWVMDV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.55
Rot. Bonds3

About 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide

3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide (PubChem CID 131086310) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide
PubChem CID131086310
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide
SMILESC=CCNC(=O)c1[nH]c(C)cc1C
InChIInChI=1S/C10H14N2O/c1-4-5-11-10(13)9-7(2)6-8(3)12-9/h4,6,12H,1,5H2,2-3H3,(H,11,13)
InChIKeyXXJDIOCLMWVMDV-UHFFFAOYSA-N
XLogP1.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
1-(3,5-dimethyl-1H-pyrrol-2-yl)butane-1,3-dione
CID 45116144
4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 60636458
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide
CID 110691624
2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide
CID 110848195
5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide
CID 19784167
1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide
CID 130670164
4-methyl-3-(prop-2-enylcarbamoyl)benzenesulfonyl chloride
CID 61292327

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide (CID 131086310) is 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide is C=CCNC(=O)c1[nH]c(C)cc1C.
What is the InChIKey of 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide?
The InChIKey is XXJDIOCLMWVMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-5-11-10(13)9-7(2)6-8(3)12-9/h4,6,12H,1,5H2,2-3H3,(H,11,13).
What are the key properties of 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide?
3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide has a molecular weight of 178.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 131086310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).