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

C12H21N3O2 — CID 53016475

IUPAC1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C12H21N3O2/c1-2-13-12(17)14-10-6-7-15(8-10)11(16)9-4-3-5-9/h9-10H,2-8H2,1H3,(H2,13,14,17)
InChIKeyKLFSNOZRSWOLQA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.71
Rot. Bonds3

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

1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea (PubChem CID 53016475) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea
PubChem CID53016475
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C12H21N3O2/c1-2-13-12(17)14-10-6-7-15(8-10)11(16)9-4-3-5-9/h9-10H,2-8H2,1H3,(H2,13,14,17)
InChIKeyKLFSNOZRSWOLQA-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
The IUPAC name of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea (CID 53016475) is 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea is CCNC(=O)NC1CCN(C(=O)C2CCC2)C1.
What is the InChIKey of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
The InChIKey is KLFSNOZRSWOLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-13-12(17)14-10-6-7-15(8-10)11(16)9-4-3-5-9/h9-10H,2-8H2,1H3,(H2,13,14,17).
What are the key properties of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea has a molecular weight of 239.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-ethylurea is sourced from PubChem (CID 53016475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).