2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide

C8H13N3O — CID 61465317

IUPAC2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)CC#N)C1
InChIInChI=1S/C8H13N3O/c1-11-5-3-7(6-11)10-8(12)2-4-9/h7H,2-3,5-6H2,1H3,(H,10,12)
InChIKeyRAKITIYHACWQHS-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.28
Rot. Bonds2

About 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide

2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 61465317) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID61465317
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)CC#N)C1
InChIInChI=1S/C8H13N3O/c1-11-5-3-7(6-11)10-8(12)2-4-9/h7H,2-3,5-6H2,1H3,(H,10,12)
InChIKeyRAKITIYHACWQHS-UHFFFAOYSA-N
XLogP-0.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
methyl 3-[(1-methylpyrrolidin-3-yl)amino]-3-oxopropanoate
CID 115174182
4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79192658
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
2-cyano-N-cyclopentylacetamide
CID 5093205
N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
CID 169229027
3-(1-methylpyrrolidin-3-yl)-3-oxopropanenitrile
CID 116919095
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
CID 177199219
N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide
CID 116817146
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide (CID 61465317) is 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)CC#N)C1.
What is the InChIKey of 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is RAKITIYHACWQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-5-3-7(6-11)10-8(12)2-4-9/h7H,2-3,5-6H2,1H3,(H,10,12).
What are the key properties of 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide?
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 167.21 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 61465317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).