3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea

C12H18N2O2 — CID 47349307

IUPAC3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea
SMILESCN(Cc1ccoc1)C(=O)NC1CCCC1
InChIInChI=1S/C12H18N2O2/c1-14(8-10-6-7-16-9-10)12(15)13-11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,13,15)
InChIKeyUMGSZJOEOCPYRR-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.36
Rot. Bonds3

About 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea

3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea (PubChem CID 47349307) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea
PubChem CID47349307
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea
SMILESCN(Cc1ccoc1)C(=O)NC1CCCC1
InChIInChI=1S/C12H18N2O2/c1-14(8-10-6-7-16-9-10)12(15)13-11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,13,15)
InChIKeyUMGSZJOEOCPYRR-UHFFFAOYSA-N
XLogP2.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea (CID 47349307) is 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea is CN(Cc1ccoc1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea?
The InChIKey is UMGSZJOEOCPYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(8-10-6-7-16-9-10)12(15)13-11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,13,15).
What are the key properties of 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea?
3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea has a molecular weight of 222.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(furan-3-ylmethyl)-1-methylurea is sourced from PubChem (CID 47349307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).