1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea

C15H25N3O2 — CID 71969521

IUPAC1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)NC2C=CCCC2)C1
InChIInChI=1S/C15H25N3O2/c1-11(2)14(19)18-9-8-13(10-18)17-15(20)16-12-6-4-3-5-7-12/h4,6,11-13H,3,5,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyUYZQKTNSKHYSOC-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.65
Rot. Bonds3

About 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea

1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea (PubChem CID 71969521) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea
PubChem CID71969521
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)NC2C=CCCC2)C1
InChIInChI=1S/C15H25N3O2/c1-11(2)14(19)18-9-8-13(10-18)17-15(20)16-12-6-4-3-5-7-12/h4,6,11-13H,3,5,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyUYZQKTNSKHYSOC-UHFFFAOYSA-N
XLogP1.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea (CID 71969521) is 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea is CC(C)C(=O)N1CCC(NC(=O)NC2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea?
The InChIKey is UYZQKTNSKHYSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)14(19)18-9-8-13(10-18)17-15(20)16-12-6-4-3-5-7-12/h4,6,11-13H,3,5,7-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea?
1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea has a molecular weight of 279.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 71969521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).