1-(2-cyanoethyl)-3-cyclohexylurea

C10H17N3O — CID 10012892

IUPAC1-(2-cyanoethyl)-3-cyclohexylurea
SMILESN#CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C10H17N3O/c11-7-4-8-12-10(14)13-9-5-2-1-3-6-9/h9H,1-6,8H2,(H2,12,13,14)
InChIKeyRBKUOTPHUVLRJG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.53
Rot. Bonds3

About 1-(2-cyanoethyl)-3-cyclohexylurea

1-(2-cyanoethyl)-3-cyclohexylurea (PubChem CID 10012892) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-cyclohexylurea
PubChem CID10012892
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(2-cyanoethyl)-3-cyclohexylurea
SMILESN#CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C10H17N3O/c11-7-4-8-12-10(14)13-9-5-2-1-3-6-9/h9H,1-6,8H2,(H2,12,13,14)
InChIKeyRBKUOTPHUVLRJG-UHFFFAOYSA-N
XLogP1.53
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-cyclohexylurea?
The IUPAC name of 1-(2-cyanoethyl)-3-cyclohexylurea (CID 10012892) is 1-(2-cyanoethyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-cyanoethyl)-3-cyclohexylurea is N#CCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-(2-cyanoethyl)-3-cyclohexylurea?
The InChIKey is RBKUOTPHUVLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-7-4-8-12-10(14)13-9-5-2-1-3-6-9/h9H,1-6,8H2,(H2,12,13,14).
What are the key properties of 1-(2-cyanoethyl)-3-cyclohexylurea?
1-(2-cyanoethyl)-3-cyclohexylurea has a molecular weight of 195.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-cyclohexylurea is sourced from PubChem (CID 10012892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).