(1-cyano-4-hydroxybutyl)urea

C6H11N3O2 — CID 87954520

IUPAC(1-cyano-4-hydroxybutyl)urea
SMILESN#CC(CCCO)NC(N)=O
InChIInChI=1S/C6H11N3O2/c7-4-5(2-1-3-10)9-6(8)11/h5,10H,1-3H2,(H3,8,9,11)
InChIKeyICNQXJCGSCTIKS-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.68
Rot. Bonds4

About (1-cyano-4-hydroxybutyl)urea

(1-cyano-4-hydroxybutyl)urea (PubChem CID 87954520) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1-cyano-4-hydroxybutyl)urea.

Molecular Properties

Compound Name(1-cyano-4-hydroxybutyl)urea
PubChem CID87954520
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(1-cyano-4-hydroxybutyl)urea
SMILESN#CC(CCCO)NC(N)=O
InChIInChI=1S/C6H11N3O2/c7-4-5(2-1-3-10)9-6(8)11/h5,10H,1-3H2,(H3,8,9,11)
InChIKeyICNQXJCGSCTIKS-UHFFFAOYSA-N
XLogP-0.68
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyano-4-hydroxybutyl)urea?
The IUPAC name of (1-cyano-4-hydroxybutyl)urea (CID 87954520) is (1-cyano-4-hydroxybutyl)urea.
What is the SMILES notation for (1-cyano-4-hydroxybutyl)urea?
The canonical SMILES for (1-cyano-4-hydroxybutyl)urea is N#CC(CCCO)NC(N)=O.
What is the InChIKey of (1-cyano-4-hydroxybutyl)urea?
The InChIKey is ICNQXJCGSCTIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-4-5(2-1-3-10)9-6(8)11/h5,10H,1-3H2,(H3,8,9,11).
What are the key properties of (1-cyano-4-hydroxybutyl)urea?
(1-cyano-4-hydroxybutyl)urea has a molecular weight of 157.17 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyano-4-hydroxybutyl)urea is sourced from PubChem (CID 87954520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).