1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide

C15H25N3O2 — CID 3221237

IUPAC1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-2-10-16-14(19)13-9-6-11-18(13)15(20)17-12-7-4-3-5-8-12/h2,12-13H,1,3-11H2,(H,16,19)(H,17,20)
InChIKeyXCNLJXMCYZJUPA-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.80
Rot. Bonds4

About 1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide

1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide (PubChem CID 3221237) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
PubChem CID3221237
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-2-10-16-14(19)13-9-6-11-18(13)15(20)17-12-7-4-3-5-8-12/h2,12-13H,1,3-11H2,(H,16,19)(H,17,20)
InChIKeyXCNLJXMCYZJUPA-UHFFFAOYSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.80
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-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide (CID 3221237) is 1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide is C=CCNC(=O)C1CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide?
The InChIKey is XCNLJXMCYZJUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-10-16-14(19)13-9-6-11-18(13)15(20)17-12-7-4-3-5-8-12/h2,12-13H,1,3-11H2,(H,16,19)(H,17,20).
What are the key properties of 1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).