N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide

C10H13N3O — CID 134105431

IUPACN-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide
SMILESCCC(=O)Nc1[nH]c(C)c(C)c1C#N
InChIInChI=1S/C10H13N3O/c1-4-9(14)13-10-8(5-11)6(2)7(3)12-10/h12H,4H2,1-3H3,(H,13,14)
InChIKeyBCCOUVHOOMZLJM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.85
Rot. Bonds2

About N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide

N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide (PubChem CID 134105431) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide
PubChem CID134105431
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide
SMILESCCC(=O)Nc1[nH]c(C)c(C)c1C#N
InChIInChI=1S/C10H13N3O/c1-4-9(14)13-10-8(5-11)6(2)7(3)12-10/h12H,4H2,1-3H3,(H,13,14)
InChIKeyBCCOUVHOOMZLJM-UHFFFAOYSA-N
XLogP1.85
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-3-cyano-4,5-dimethylpyrrole
CID 2756391
7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile
CID 295498
3-Cyano-4,5-dimethyl-2-pyrroloxamic acid
CID 324401
N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide
CID 670431
1-Acetyl-2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 12234062
Glycine, N-(carboxymethyl)-N-(2-((3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino)-2-oxoethyl)-
CID 156590
ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate
CID 319446
2-[carboxymethyl-[2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoethyl]amino]acetic acid;technetium-99
CID 450448
2-Diethylamino-acetamido-3-cyano-4,5-di-methylpyrrole
CID 191933
N-(3-cyano-4,5,6,7-tetrahydro-1H-indol-2-yl)acetamide
CID 4435711
2-(1,3-Dioxobutylamino)-3-cyano-4,5,6,7-tetrahydroindole
CID 14363550
N-(5-cyano-4,6-dimethyl-2-pyridinyl)acetamide
CID 130005634

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide?
The IUPAC name of N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide (CID 134105431) is N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide is CCC(=O)Nc1[nH]c(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide?
The InChIKey is BCCOUVHOOMZLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-9(14)13-10-8(5-11)6(2)7(3)12-10/h12H,4H2,1-3H3,(H,13,14).
What are the key properties of N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide?
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide has a molecular weight of 191.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)propanamide is sourced from PubChem (CID 134105431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).