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

C16H27N3O2 — CID 53016543

IUPAC1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C16H27N3O2/c20-15(12-5-4-6-12)19-10-9-14(11-19)18-16(21)17-13-7-2-1-3-8-13/h12-14H,1-11H2,(H2,17,18,21)
InChIKeySYLMJPKNHMBJPB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.02
Rot. Bonds3

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

1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea (PubChem CID 53016543) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea
PubChem CID53016543
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C16H27N3O2/c20-15(12-5-4-6-12)19-10-9-14(11-19)18-16(21)17-13-7-2-1-3-8-13/h12-14H,1-11H2,(H2,17,18,21)
InChIKeySYLMJPKNHMBJPB-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.02
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-cyclohexylurea?
The IUPAC name of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea (CID 53016543) is 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea is O=C(NC1CCCCC1)NC1CCN(C(=O)C2CCC2)C1.
What is the InChIKey of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea?
The InChIKey is SYLMJPKNHMBJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15(12-5-4-6-12)19-10-9-14(11-19)18-16(21)17-13-7-2-1-3-8-13/h12-14H,1-11H2,(H2,17,18,21).
What are the key properties of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea?
1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-cyclohexylurea has a molecular weight of 293.41 g/mol, XLogP of 2.02, 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-cyclohexylurea is sourced from PubChem (CID 53016543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).