1-cyclopentyl-3-methylurea

C7H14N2O — CID 13428331

IUPAC1-cyclopentyl-3-methylurea
SMILESCNC(=O)NC1CCCC1
InChIInChI=1S/C7H14N2O/c1-8-7(10)9-6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKeyUQHLFZVUHJUWGD-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.86
Rot. Bonds1

About 1-cyclopentyl-3-methylurea

1-cyclopentyl-3-methylurea (PubChem CID 13428331) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-cyclopentyl-3-methylurea.

Molecular Properties

Compound Name1-cyclopentyl-3-methylurea
PubChem CID13428331
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-cyclopentyl-3-methylurea
SMILESCNC(=O)NC1CCCC1
InChIInChI=1S/C7H14N2O/c1-8-7(10)9-6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKeyUQHLFZVUHJUWGD-UHFFFAOYSA-N
XLogP0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methylurea?
The IUPAC name of 1-cyclopentyl-3-methylurea (CID 13428331) is 1-cyclopentyl-3-methylurea.
What is the SMILES notation for 1-cyclopentyl-3-methylurea?
The canonical SMILES for 1-cyclopentyl-3-methylurea is CNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-methylurea?
The InChIKey is UQHLFZVUHJUWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-8-7(10)9-6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,8,9,10).
What are the key properties of 1-cyclopentyl-3-methylurea?
1-cyclopentyl-3-methylurea has a molecular weight of 142.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methylurea is sourced from PubChem (CID 13428331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).