2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

C12H17N3O — CID 115175244

IUPAC2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESCN(CCc1cc[nH]c1)C(=O)C(C)(C)C#N
InChIInChI=1S/C12H17N3O/c1-12(2,9-13)11(16)15(3)7-5-10-4-6-14-8-10/h4,6,8,14H,5,7H2,1-3H3
InChIKeyVAIGVPBZEZEJBH-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.57
Rot. Bonds4

About 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (PubChem CID 115175244) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
PubChem CID115175244
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESCN(CCc1cc[nH]c1)C(=O)C(C)(C)C#N
InChIInChI=1S/C12H17N3O/c1-12(2,9-13)11(16)15(3)7-5-10-4-6-14-8-10/h4,6,8,14H,5,7H2,1-3H3
InChIKeyVAIGVPBZEZEJBH-UHFFFAOYSA-N
XLogP1.57
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115157136
2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115180157
4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115163151
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl]butanoic acid
CID 115186091
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 115175246
2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide
CID 107199534
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
CID 115223392
N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide
CID 115177671
N-(2-chloroethyl)-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115215195
N-methyl-4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 103337389
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792
N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337352

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The IUPAC name of 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (CID 115175244) is 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is CN(CCc1cc[nH]c1)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The InChIKey is VAIGVPBZEZEJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,9-13)11(16)15(3)7-5-10-4-6-14-8-10/h4,6,8,14H,5,7H2,1-3H3.
What are the key properties of 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide has a molecular weight of 219.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is sourced from PubChem (CID 115175244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).