1-cyclopentyl-3-cyclopropylurea

C9H16N2O — CID 17171280

IUPAC1-cyclopentyl-3-cyclopropylurea
SMILESO=C(NC1CCCC1)NC1CC1
InChIInChI=1S/C9H16N2O/c12-9(11-8-5-6-8)10-7-3-1-2-4-7/h7-8H,1-6H2,(H2,10,11,12)
InChIKeyRFPCAYJJBOGCPR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds2

About 1-cyclopentyl-3-cyclopropylurea

1-cyclopentyl-3-cyclopropylurea (PubChem CID 17171280) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclopentyl-3-cyclopropylurea.

Molecular Properties

Compound Name1-cyclopentyl-3-cyclopropylurea
PubChem CID17171280
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-cyclopentyl-3-cyclopropylurea
SMILESO=C(NC1CCCC1)NC1CC1
InChIInChI=1S/C9H16N2O/c12-9(11-8-5-6-8)10-7-3-1-2-4-7/h7-8H,1-6H2,(H2,10,11,12)
InChIKeyRFPCAYJJBOGCPR-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-cyclopropylurea?
The IUPAC name of 1-cyclopentyl-3-cyclopropylurea (CID 17171280) is 1-cyclopentyl-3-cyclopropylurea.
What is the SMILES notation for 1-cyclopentyl-3-cyclopropylurea?
The canonical SMILES for 1-cyclopentyl-3-cyclopropylurea is O=C(NC1CCCC1)NC1CC1.
What is the InChIKey of 1-cyclopentyl-3-cyclopropylurea?
The InChIKey is RFPCAYJJBOGCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(11-8-5-6-8)10-7-3-1-2-4-7/h7-8H,1-6H2,(H2,10,11,12).
What are the key properties of 1-cyclopentyl-3-cyclopropylurea?
1-cyclopentyl-3-cyclopropylurea has a molecular weight of 168.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-cyclopropylurea is sourced from PubChem (CID 17171280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).