1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide

C10H14N2O — CID 130670164

IUPAC1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCNC(=O)c1c(C)ccn1C
InChIInChI=1S/C10H14N2O/c1-4-6-11-10(13)9-8(2)5-7-12(9)3/h4-5,7H,1,6H2,2-3H3,(H,11,13)
InChIKeyHCWWJJWTJTXHGM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.25
Rot. Bonds3

About 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide

1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide (PubChem CID 130670164) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide
PubChem CID130670164
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCNC(=O)c1c(C)ccn1C
InChIInChI=1S/C10H14N2O/c1-4-6-11-10(13)9-8(2)5-7-12(9)3/h4-5,7H,1,6H2,2-3H3,(H,11,13)
InChIKeyHCWWJJWTJTXHGM-UHFFFAOYSA-N
XLogP1.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-N-prop-2-enylpyrrole-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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide?
The IUPAC name of 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide (CID 130670164) is 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide is C=CCNC(=O)c1c(C)ccn1C.
What is the InChIKey of 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide?
The InChIKey is HCWWJJWTJTXHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-6-11-10(13)9-8(2)5-7-12(9)3/h4-5,7H,1,6H2,2-3H3,(H,11,13).
What are the key properties of 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide?
1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide has a molecular weight of 178.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide is sourced from PubChem (CID 130670164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).