N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide

C10H17N3O — CID 156532471

IUPACN-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1CCN(CC#N)C1
InChIInChI=1S/C10H17N3O/c1-8(2)10(14)12-9-3-5-13(7-9)6-4-11/h8-9H,3,5-7H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyYAVRKLNDSXXNBQ-SECBINFHSA-N
MW195.27 g/mol
LogP0.36
Rot. Bonds3

About N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide

N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide (PubChem CID 156532471) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
PubChem CID156532471
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1CCN(CC#N)C1
InChIInChI=1S/C10H17N3O/c1-8(2)10(14)12-9-3-5-13(7-9)6-4-11/h8-9H,3,5-7H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyYAVRKLNDSXXNBQ-SECBINFHSA-N
XLogP0.36
TPSA56.13 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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-sulfanylpropanamide
CID 156532691
2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetonitrile
CID 170381955
N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide
CID 112542922
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
CID 115532353
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbutanamide
CID 63626076
N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide
CID 112690099
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
1-[1-(cyanomethyl)piperidin-4-yl]-3-methylurea
CID 78948240
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
CID 63626471
N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide
CID 112542931

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide (CID 156532471) is N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H]1CCN(CC#N)C1.
What is the InChIKey of N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide?
The InChIKey is YAVRKLNDSXXNBQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)10(14)12-9-3-5-13(7-9)6-4-11/h8-9H,3,5-7H2,1-2H3,(H,12,14)/t9-/m1/s1.
What are the key properties of N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide?
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide has a molecular weight of 195.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 156532471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).