N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide

C9H14N4O2 — CID 71877664

IUPACN-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide
SMILESCCCC(C#N)NC(=O)C1CNC(=O)N1
InChIInChI=1S/C9H14N4O2/c1-2-3-6(4-10)12-8(14)7-5-11-9(15)13-7/h6-7H,2-3,5H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyFPLUANBZWZEFNI-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.52
Rot. Bonds4

About N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide

N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 71877664) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID71877664
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide
SMILESCCCC(C#N)NC(=O)C1CNC(=O)N1
InChIInChI=1S/C9H14N4O2/c1-2-3-6(4-10)12-8(14)7-5-11-9(15)13-7/h6-7H,2-3,5H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyFPLUANBZWZEFNI-UHFFFAOYSA-N
XLogP-0.52
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide (CID 71877664) is N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide is CCCC(C#N)NC(=O)C1CNC(=O)N1.
What is the InChIKey of N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is FPLUANBZWZEFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-3-6(4-10)12-8(14)7-5-11-9(15)13-7/h6-7H,2-3,5H2,1H3,(H,12,14)(H2,11,13,15).
What are the key properties of N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide?
N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71877664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).