N-carbamoyl-2-cyano-N-cyclopentylacetamide

C9H13N3O2 — CID 68892793

IUPACN-carbamoyl-2-cyano-N-cyclopentylacetamide
SMILESN#CCC(=O)N(C(N)=O)C1CCCC1
InChIInChI=1S/C9H13N3O2/c10-6-5-8(13)12(9(11)14)7-3-1-2-4-7/h7H,1-5H2,(H2,11,14)
InChIKeyFMAMLSSFZOIUAL-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.75
Rot. Bonds2

About N-carbamoyl-2-cyano-N-cyclopentylacetamide

N-carbamoyl-2-cyano-N-cyclopentylacetamide (PubChem CID 68892793) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-carbamoyl-2-cyano-N-cyclopentylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-cyano-N-cyclopentylacetamide
PubChem CID68892793
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-carbamoyl-2-cyano-N-cyclopentylacetamide
SMILESN#CCC(=O)N(C(N)=O)C1CCCC1
InChIInChI=1S/C9H13N3O2/c10-6-5-8(13)12(9(11)14)7-3-1-2-4-7/h7H,1-5H2,(H2,11,14)
InChIKeyFMAMLSSFZOIUAL-UHFFFAOYSA-N
XLogP0.75
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-cyano-N-cyclopentylacetamide?
The IUPAC name of N-carbamoyl-2-cyano-N-cyclopentylacetamide (CID 68892793) is N-carbamoyl-2-cyano-N-cyclopentylacetamide.
What is the SMILES notation for N-carbamoyl-2-cyano-N-cyclopentylacetamide?
The canonical SMILES for N-carbamoyl-2-cyano-N-cyclopentylacetamide is N#CCC(=O)N(C(N)=O)C1CCCC1.
What is the InChIKey of N-carbamoyl-2-cyano-N-cyclopentylacetamide?
The InChIKey is FMAMLSSFZOIUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-6-5-8(13)12(9(11)14)7-3-1-2-4-7/h7H,1-5H2,(H2,11,14).
What are the key properties of N-carbamoyl-2-cyano-N-cyclopentylacetamide?
N-carbamoyl-2-cyano-N-cyclopentylacetamide has a molecular weight of 195.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-cyano-N-cyclopentylacetamide is sourced from PubChem (CID 68892793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).