N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide

C20H32N2O2 — CID 166782912

IUPACN-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
SMILESC=C/C=C(\C=C/C)CNC(=O)C1CCCN1C(=O)C(C)C(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-7-10-16(11-8-2)14-21-18(23)17-12-9-13-22(17)19(24)15(3)20(4,5)6/h7-8,10-11,15,17H,1,9,12-14H2,2-6H3,(H,21,23)/b11-8-,16-10+
InChIKeyRDKCFORAHRPMQS-CPIFZXGHSA-N
MW332.49 g/mol
LogP3.46
Rot. Bonds6

About N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide

N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide (PubChem CID 166782912) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
PubChem CID166782912
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
SMILESC=C/C=C(\C=C/C)CNC(=O)C1CCCN1C(=O)C(C)C(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-7-10-16(11-8-2)14-21-18(23)17-12-9-13-22(17)19(24)15(3)20(4,5)6/h7-8,10-11,15,17H,1,9,12-14H2,2-6H3,(H,21,23)/b11-8-,16-10+
InChIKeyRDKCFORAHRPMQS-CPIFZXGHSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide (CID 166782912) is N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide is C=C/C=C(\C=C/C)CNC(=O)C1CCCN1C(=O)C(C)C(C)(C)C.
What is the InChIKey of N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is RDKCFORAHRPMQS-CPIFZXGHSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-7-10-16(11-8-2)14-21-18(23)17-12-9-13-22(17)19(24)15(3)20(4,5)6/h7-8,10-11,15,17H,1,9,12-14H2,2-6H3,(H,21,23)/b11-8-,16-10+.
What are the key properties of N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide?
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166782912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).