N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide

C14H23FN2O — CID 166907253

IUPACN-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide
SMILESC/C(=C\C=C/CF)CNC(=O)CCC1CCCN1
InChIInChI=1S/C14H23FN2O/c1-12(5-2-3-9-15)11-17-14(18)8-7-13-6-4-10-16-13/h2-3,5,13,16H,4,6-11H2,1H3,(H,17,18)/b3-2-,12-5+
InChIKeyWQXHZHHFJAYCOJ-JCVZHYDKSA-N
MW254.35 g/mol
LogP2.11
Rot. Bonds7

About N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide

N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide (PubChem CID 166907253) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide
PubChem CID166907253
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide
SMILESC/C(=C\C=C/CF)CNC(=O)CCC1CCCN1
InChIInChI=1S/C14H23FN2O/c1-12(5-2-3-9-15)11-17-14(18)8-7-13-6-4-10-16-13/h2-3,5,13,16H,4,6-11H2,1H3,(H,17,18)/b3-2-,12-5+
InChIKeyWQXHZHHFJAYCOJ-JCVZHYDKSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2-difluoropropanamide;5-[(3E)-hexa-1,3,5-trien-3-yl]pyrrolidin-2-one
CID 154642013
5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidin-2-one
CID 124095191
6-[(E)-3-(methylamino)prop-1-enyl]-1,3,7,7a-tetrahydroindol-2-one
CID 147364017
ethane;5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]pyrrolidin-2-one
CID 155744201
N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide
CID 106187316
N,N-bis(prop-2-enyl)-3-pyrrolidin-2-ylpropanamide;hydrochloride
CID 121631467
N,N-bis(prop-2-enyl)-3-pyrrolidin-2-ylpropanamide
CID 121631468
5-[4-[(E)-pent-2-en-2-yl]cyclohepta-1,3,5-trien-1-yl]pyrrolidin-2-one
CID 142175429

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide?
The IUPAC name of N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide (CID 166907253) is N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide.
What is the SMILES notation for N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide?
The canonical SMILES for N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide is C/C(=C\C=C/CF)CNC(=O)CCC1CCCN1.
What is the InChIKey of N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide?
The InChIKey is WQXHZHHFJAYCOJ-JCVZHYDKSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-12(5-2-3-9-15)11-17-14(18)8-7-13-6-4-10-16-13/h2-3,5,13,16H,4,6-11H2,1H3,(H,17,18)/b3-2-,12-5+.
What are the key properties of N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide?
N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide has a molecular weight of 254.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-6-fluoro-2-methylhexa-2,4-dienyl]-3-pyrrolidin-2-ylpropanamide is sourced from PubChem (CID 166907253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).