1-cyclopentyl-1-propylurea

C9H18N2O — CID 45098503

IUPAC1-cyclopentyl-1-propylurea
SMILESCCCN(C(N)=O)C1CCCC1
InChIInChI=1S/C9H18N2O/c1-2-7-11(9(10)12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyQLMQXVWCILIFPG-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.72
Rot. Bonds3

About 1-cyclopentyl-1-propylurea

1-cyclopentyl-1-propylurea (PubChem CID 45098503) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-cyclopentyl-1-propylurea.

Molecular Properties

Compound Name1-cyclopentyl-1-propylurea
PubChem CID45098503
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-cyclopentyl-1-propylurea
SMILESCCCN(C(N)=O)C1CCCC1
InChIInChI=1S/C9H18N2O/c1-2-7-11(9(10)12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyQLMQXVWCILIFPG-UHFFFAOYSA-N
XLogP1.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-propylurea?
The IUPAC name of 1-cyclopentyl-1-propylurea (CID 45098503) is 1-cyclopentyl-1-propylurea.
What is the SMILES notation for 1-cyclopentyl-1-propylurea?
The canonical SMILES for 1-cyclopentyl-1-propylurea is CCCN(C(N)=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-propylurea?
The InChIKey is QLMQXVWCILIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-7-11(9(10)12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 1-cyclopentyl-1-propylurea?
1-cyclopentyl-1-propylurea has a molecular weight of 170.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-propylurea is sourced from PubChem (CID 45098503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).