1-cyclopentyl-1-propylurea;hydrochloride

C9H19ClN2O — CID 172730148

IUPAC1-cyclopentyl-1-propylurea;hydrochloride
SMILESCCCN(C(N)=O)C1CCCC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-2-7-11(9(10)12)8-5-3-4-6-8;/h8H,2-7H2,1H3,(H2,10,12);1H
InChIKeyHRKPOIPCVSMZQP-UHFFFAOYSA-N
MW206.72 g/mol
LogP2.14
Rot. Bonds3

About 1-cyclopentyl-1-propylurea;hydrochloride

1-cyclopentyl-1-propylurea;hydrochloride (PubChem CID 172730148) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-cyclopentyl-1-propylurea;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-1-propylurea;hydrochloride
PubChem CID172730148
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name1-cyclopentyl-1-propylurea;hydrochloride
SMILESCCCN(C(N)=O)C1CCCC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-2-7-11(9(10)12)8-5-3-4-6-8;/h8H,2-7H2,1H3,(H2,10,12);1H
InChIKeyHRKPOIPCVSMZQP-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 52.14
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;hydrochloride?
The IUPAC name of 1-cyclopentyl-1-propylurea;hydrochloride (CID 172730148) is 1-cyclopentyl-1-propylurea;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-1-propylurea;hydrochloride?
The canonical SMILES for 1-cyclopentyl-1-propylurea;hydrochloride is CCCN(C(N)=O)C1CCCC1.Cl.
What is the InChIKey of 1-cyclopentyl-1-propylurea;hydrochloride?
The InChIKey is HRKPOIPCVSMZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-2-7-11(9(10)12)8-5-3-4-6-8;/h8H,2-7H2,1H3,(H2,10,12);1H.
What are the key properties of 1-cyclopentyl-1-propylurea;hydrochloride?
1-cyclopentyl-1-propylurea;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 2.14, 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;hydrochloride is sourced from PubChem (CID 172730148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).