3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C10H17N3O — CID 115173838

IUPAC3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)CCC#N)C1
InChIInChI=1S/C10H17N3O/c1-13-6-4-9(8-13)7-12-10(14)3-2-5-11/h9H,2-4,6-8H2,1H3,(H,12,14)
InChIKeyRYSVHXGCHFUFFJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.36
Rot. Bonds4

About 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 115173838) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID115173838
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)CCC#N)C1
InChIInChI=1S/C10H17N3O/c1-13-6-4-9(8-13)7-12-10(14)3-2-5-11/h9H,2-4,6-8H2,1H3,(H,12,14)
InChIKeyRYSVHXGCHFUFFJ-UHFFFAOYSA-N
XLogP0.36
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 95212961
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115174091
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 54927931
3-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 55155029
3,3-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 62934562
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide
CID 115184748
3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115173733

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 115173838) is 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CN1CCC(CNC(=O)CCC#N)C1.
What is the InChIKey of 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is RYSVHXGCHFUFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-6-4-9(8-13)7-12-10(14)3-2-5-11/h9H,2-4,6-8H2,1H3,(H,12,14).
What are the key properties of 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 195.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 115173838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).