N-propan-2-yl-1H-pyrrole-2-carboxamide

C8H12N2O — CID 18712343

IUPACN-propan-2-yl-1H-pyrrole-2-carboxamide
SMILESCC(C)NC(=O)c1ccc[nH]1
InChIInChI=1S/C8H12N2O/c1-6(2)10-8(11)7-4-3-5-9-7/h3-6,9H,1-2H3,(H,10,11)
InChIKeyBFMMCQPBVFAWOW-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.15
Rot. Bonds2

About N-propan-2-yl-1H-pyrrole-2-carboxamide

N-propan-2-yl-1H-pyrrole-2-carboxamide (PubChem CID 18712343) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-propan-2-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1H-pyrrole-2-carboxamide
PubChem CID18712343
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-propan-2-yl-1H-pyrrole-2-carboxamide
SMILESCC(C)NC(=O)c1ccc[nH]1
InChIInChI=1S/C8H12N2O/c1-6(2)10-8(11)7-4-3-5-9-7/h3-6,9H,1-2H3,(H,10,11)
InChIKeyBFMMCQPBVFAWOW-UHFFFAOYSA-N
XLogP1.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
CID 166130167
3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoic acid
CID 43208803
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 63184689
1-propan-2-yl-3-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]urea
CID 78868165
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 110470867
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 71856468
N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide
CID 80697811
N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide
CID 78861087
N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
CID 56876010
2-(1H-pyrrole-2-carbonylamino)pentanedioic acid
CID 60832834
2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374402

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-propan-2-yl-1H-pyrrole-2-carboxamide (CID 18712343) is N-propan-2-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-propan-2-yl-1H-pyrrole-2-carboxamide is CC(C)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-propan-2-yl-1H-pyrrole-2-carboxamide?
The InChIKey is BFMMCQPBVFAWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)10-8(11)7-4-3-5-9-7/h3-6,9H,1-2H3,(H,10,11).
What are the key properties of N-propan-2-yl-1H-pyrrole-2-carboxamide?
N-propan-2-yl-1H-pyrrole-2-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18712343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).