2-propyl-2H-pyrrole-3-carboxamide

C8H12N2O — CID 142051090

IUPAC2-propyl-2H-pyrrole-3-carboxamide
SMILESCCCC1N=CC=C1C(N)=O
InChIInChI=1S/C8H12N2O/c1-2-3-7-6(8(9)11)4-5-10-7/h4-5,7H,2-3H2,1H3,(H2,9,11)
InChIKeyJRDBXNHWPCBMGJ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.65
Rot. Bonds3

About 2-propyl-2H-pyrrole-3-carboxamide

2-propyl-2H-pyrrole-3-carboxamide (PubChem CID 142051090) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-propyl-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-propyl-2H-pyrrole-3-carboxamide
PubChem CID142051090
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-propyl-2H-pyrrole-3-carboxamide
SMILESCCCC1N=CC=C1C(N)=O
InChIInChI=1S/C8H12N2O/c1-2-3-7-6(8(9)11)4-5-10-7/h4-5,7H,2-3H2,1H3,(H2,9,11)
InChIKeyJRDBXNHWPCBMGJ-UHFFFAOYSA-N
XLogP0.65
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Butylpyrrol-2-one
CID 140993562
3-Pentylpyrrol-2-one
CID 141007598
2-methyl-2H-pyrrole-3-carboxamide
CID 151360967
5-amino-6-methyl-5H-isoquinolin-1-one
CID 123220361

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2H-pyrrole-3-carboxamide?
The IUPAC name of 2-propyl-2H-pyrrole-3-carboxamide (CID 142051090) is 2-propyl-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-propyl-2H-pyrrole-3-carboxamide?
The canonical SMILES for 2-propyl-2H-pyrrole-3-carboxamide is CCCC1N=CC=C1C(N)=O.
What is the InChIKey of 2-propyl-2H-pyrrole-3-carboxamide?
The InChIKey is JRDBXNHWPCBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-7-6(8(9)11)4-5-10-7/h4-5,7H,2-3H2,1H3,(H2,9,11).
What are the key properties of 2-propyl-2H-pyrrole-3-carboxamide?
2-propyl-2H-pyrrole-3-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 142051090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).