N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide

C10H17N3O — CID 82505454

IUPACN-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1cccn1C
InChIInChI=1S/C10H17N3O/c1-8(7-11)13(3)10(14)9-5-4-6-12(9)2/h4-6,8H,7,11H2,1-3H3
InChIKeyUOEWZWXHWCOVFY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.44
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide

N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 82505454) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
PubChem CID82505454
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1cccn1C
InChIInChI=1S/C10H17N3O/c1-8(7-11)13(3)10(14)9-5-4-6-12(9)2/h4-6,8H,7,11H2,1-3H3
InChIKeyUOEWZWXHWCOVFY-UHFFFAOYSA-N
XLogP0.44
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetylpyrrole
CID 14079
1-Methyl-1H-pyrrole-2-carbaldehyde
CID 14504
2-Acetyl-1-methylpyrrole
CID 61240
2-Propionylpyrrole
CID 61260
1-Ethyl-2-acetyl pyrrole
CID 61988
1-Ethyl-2-pyrrolecarboxaldehyde
CID 579338
1H-pyrrole-2-carboxamide
CID 573553
1-(3-Methylbutyl)-1H-pyrrole-2-carbaldehyde
CID 20560333
Pyrocoll
CID 10241527
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide (CID 82505454) is N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide is CC(CN)N(C)C(=O)c1cccn1C.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is UOEWZWXHWCOVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(7-11)13(3)10(14)9-5-4-6-12(9)2/h4-6,8H,7,11H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide?
N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 82505454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).