1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea

C13H23N3O2 — CID 108913553

IUPAC1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NC=C1CCCC1)NCCN1CCOCC1
InChIInChI=1S/C13H23N3O2/c17-13(15-11-12-3-1-2-4-12)14-5-6-16-7-9-18-10-8-16/h11H,1-10H2,(H2,14,15,17)
InChIKeyUBMCQBOVJVPTCA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.08
Rot. Bonds4

About 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea

1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 108913553) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID108913553
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NC=C1CCCC1)NCCN1CCOCC1
InChIInChI=1S/C13H23N3O2/c17-13(15-11-12-3-1-2-4-12)14-5-6-16-7-9-18-10-8-16/h11H,1-10H2,(H2,14,15,17)
InChIKeyUBMCQBOVJVPTCA-UHFFFAOYSA-N
XLogP1.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea (CID 108913553) is 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea is O=C(NC=C1CCCC1)NCCN1CCOCC1.
What is the InChIKey of 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is UBMCQBOVJVPTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-13(15-11-12-3-1-2-4-12)14-5-6-16-7-9-18-10-8-16/h11H,1-10H2,(H2,14,15,17).
What are the key properties of 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea?
1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 253.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylidenemethyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 108913553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).