(2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide

C16H26N2O2 — CID 139553439

IUPAC(2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide
SMILESC/C=C\C(=C/CC)CNC(=O)[C@@H]1CCCN1C(=O)CC
InChIInChI=1S/C16H26N2O2/c1-4-8-13(9-5-2)12-17-16(20)14-10-7-11-18(14)15(19)6-3/h4,8-9,14H,5-7,10-12H2,1-3H3,(H,17,20)/b8-4-,13-9+/t14-/m0/s1
InChIKeyQMWWWAFRHOUISP-SPHFGYMWSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds6

About (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide

(2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide (PubChem CID 139553439) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide
PubChem CID139553439
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide
SMILESC/C=C\C(=C/CC)CNC(=O)[C@@H]1CCCN1C(=O)CC
InChIInChI=1S/C16H26N2O2/c1-4-8-13(9-5-2)12-17-16(20)14-10-7-11-18(14)15(19)6-3/h4,8-9,14H,5-7,10-12H2,1-3H3,(H,17,20)/b8-4-,13-9+/t14-/m0/s1
InChIKeyQMWWWAFRHOUISP-SPHFGYMWSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide (CID 139553439) is (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide is C/C=C\C(=C/CC)CNC(=O)[C@@H]1CCCN1C(=O)CC.
What is the InChIKey of (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide?
The InChIKey is QMWWWAFRHOUISP-SPHFGYMWSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-8-13(9-5-2)12-17-16(20)14-10-7-11-18(14)15(19)6-3/h4,8-9,14H,5-7,10-12H2,1-3H3,(H,17,20)/b8-4-,13-9+/t14-/m0/s1.
What are the key properties of (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide?
(2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propanoyl-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139553439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).