1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea

C13H23N3O2 — CID 53016476

IUPAC1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C13H23N3O2/c1-2-14-13(18)15-11-7-8-16(9-11)12(17)10-5-3-4-6-10/h10-11H,2-9H2,1H3,(H2,14,15,18)
InChIKeyILIXCJZMLBVQFV-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.10
Rot. Bonds3

About 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea

1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea (PubChem CID 53016476) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea
PubChem CID53016476
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C13H23N3O2/c1-2-14-13(18)15-11-7-8-16(9-11)12(17)10-5-3-4-6-10/h10-11H,2-9H2,1H3,(H2,14,15,18)
InChIKeyILIXCJZMLBVQFV-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
The IUPAC name of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea (CID 53016476) is 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea is CCNC(=O)NC1CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
The InChIKey is ILIXCJZMLBVQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-14-13(18)15-11-7-8-16(9-11)12(17)10-5-3-4-6-10/h10-11H,2-9H2,1H3,(H2,14,15,18).
What are the key properties of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea has a molecular weight of 253.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-ethylurea is sourced from PubChem (CID 53016476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).