1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea

C13H24N2O2 — CID 110875702

IUPAC1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CCCC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(6-8-17-9-7-13)10-14-12(16)15-11-4-2-3-5-11/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyCUUMSMNMTMDEGZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.04
Rot. Bonds3

About 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea

1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 110875702) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea
PubChem CID110875702
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CCCC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(6-8-17-9-7-13)10-14-12(16)15-11-4-2-3-5-11/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyCUUMSMNMTMDEGZ-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea (CID 110875702) is 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea is CC1(CNC(=O)NC2CCCC2)CCOCC1.
What is the InChIKey of 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is CUUMSMNMTMDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(6-8-17-9-7-13)10-14-12(16)15-11-4-2-3-5-11/h11H,2-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea?
1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 240.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 110875702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).