5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide

C20H32N4O2 — CID 173167362

IUPAC5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide
SMILESCC(=CCC(N)=O)CN1CCC(C#N)(NC(=O)CCC2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-16(7-9-18(22)25)13-24-12-11-20(14-21,15-24)23-19(26)10-8-17-5-3-2-4-6-17/h7,17H,2-6,8-13,15H2,1H3,(H2,22,25)(H,23,26)
InChIKeyRIWBAKSGWQHUNA-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.25
Rot. Bonds8

About 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide

5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide (PubChem CID 173167362) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide.

Molecular Properties

Compound Name5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide
PubChem CID173167362
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide
SMILESCC(=CCC(N)=O)CN1CCC(C#N)(NC(=O)CCC2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-16(7-9-18(22)25)13-24-12-11-20(14-21,15-24)23-19(26)10-8-17-5-3-2-4-6-17/h7,17H,2-6,8-13,15H2,1H3,(H2,22,25)(H,23,26)
InChIKeyRIWBAKSGWQHUNA-UHFFFAOYSA-N
XLogP2.25
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide?
The IUPAC name of 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide (CID 173167362) is 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide.
What is the SMILES notation for 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide?
The canonical SMILES for 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide is CC(=CCC(N)=O)CN1CCC(C#N)(NC(=O)CCC2CCCCC2)C1.
What is the InChIKey of 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide?
The InChIKey is RIWBAKSGWQHUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-16(7-9-18(22)25)13-24-12-11-20(14-21,15-24)23-19(26)10-8-17-5-3-2-4-6-17/h7,17H,2-6,8-13,15H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide?
5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide has a molecular weight of 360.50 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide is sourced from PubChem (CID 173167362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).