1-(4-cyanophenyl)-1-cyclopentylurea

C13H15N3O — CID 90850175

IUPAC1-(4-cyanophenyl)-1-cyclopentylurea
SMILESN#Cc1ccc(N(C(N)=O)C2CCCC2)cc1
InChIInChI=1S/C13H15N3O/c14-9-10-5-7-12(8-6-10)16(13(15)17)11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,15,17)
InChIKeyOULNNSSGVPRKDJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.39
Rot. Bonds2

About 1-(4-cyanophenyl)-1-cyclopentylurea

1-(4-cyanophenyl)-1-cyclopentylurea (PubChem CID 90850175) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-1-cyclopentylurea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-1-cyclopentylurea
PubChem CID90850175
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(4-cyanophenyl)-1-cyclopentylurea
SMILESN#Cc1ccc(N(C(N)=O)C2CCCC2)cc1
InChIInChI=1S/C13H15N3O/c14-9-10-5-7-12(8-6-10)16(13(15)17)11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,15,17)
InChIKeyOULNNSSGVPRKDJ-UHFFFAOYSA-N
XLogP2.39
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-1-cyclopentylurea?
The IUPAC name of 1-(4-cyanophenyl)-1-cyclopentylurea (CID 90850175) is 1-(4-cyanophenyl)-1-cyclopentylurea.
What is the SMILES notation for 1-(4-cyanophenyl)-1-cyclopentylurea?
The canonical SMILES for 1-(4-cyanophenyl)-1-cyclopentylurea is N#Cc1ccc(N(C(N)=O)C2CCCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-1-cyclopentylurea?
The InChIKey is OULNNSSGVPRKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-9-10-5-7-12(8-6-10)16(13(15)17)11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,15,17).
What are the key properties of 1-(4-cyanophenyl)-1-cyclopentylurea?
1-(4-cyanophenyl)-1-cyclopentylurea has a molecular weight of 229.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-1-cyclopentylurea is sourced from PubChem (CID 90850175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).