3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea

C13H20N2O — CID 163658126

IUPAC3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea
SMILESCN(C(=O)NC1=CCCC=C1)C1CCCC1
InChIInChI=1S/C13H20N2O/c1-15(12-9-5-6-10-12)13(16)14-11-7-3-2-4-8-11/h3,7-8,12H,2,4-6,9-10H2,1H3,(H,14,16)
InChIKeyIRZYUXSMRXWYFG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.80
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea

3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea (PubChem CID 163658126) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea
PubChem CID163658126
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea
SMILESCN(C(=O)NC1=CCCC=C1)C1CCCC1
InChIInChI=1S/C13H20N2O/c1-15(12-9-5-6-10-12)13(16)14-11-7-3-2-4-8-11/h3,7-8,12H,2,4-6,9-10H2,1H3,(H,14,16)
InChIKeyIRZYUXSMRXWYFG-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea (CID 163658126) is 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea is CN(C(=O)NC1=CCCC=C1)C1CCCC1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea?
The InChIKey is IRZYUXSMRXWYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(12-9-5-6-10-12)13(16)14-11-7-3-2-4-8-11/h3,7-8,12H,2,4-6,9-10H2,1H3,(H,14,16).
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea?
3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea has a molecular weight of 220.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea is sourced from PubChem (CID 163658126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).