[1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride

C17H21ClFN3O — CID 154637486

IUPAC[1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.NC/C(=C\F)Cn1ccc2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H20FN3O.ClH/c18-10-13(11-19)12-21-8-5-14-9-15(3-4-16(14)21)17(22)20-6-1-2-7-20;/h3-5,8-10H,1-2,6-7,11-12,19H2;1H/b13-10+;
InChIKeyZYZXXIVEFVOEOQ-RSGUCCNWSA-N
MW337.83 g/mol
LogP3.11
Rot. Bonds4

About [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride

[1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride (PubChem CID 154637486) has the molecular formula C17H21ClFN3O and a molecular weight of 337.83 g/mol. Its IUPAC name is [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride
PubChem CID154637486
Molecular FormulaC17H21ClFN3O
Molecular Weight337.83 g/mol
Exact Mass337.14
IUPAC Name[1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.NC/C(=C\F)Cn1ccc2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H20FN3O.ClH/c18-10-13(11-19)12-21-8-5-14-9-15(3-4-16(14)21)17(22)20-6-1-2-7-20;/h3-5,8-10H,1-2,6-7,11-12,19H2;1H/b13-10+;
InChIKeyZYZXXIVEFVOEOQ-RSGUCCNWSA-N
XLogP3.11
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride 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

[1-[2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone
CID 166783828
[1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-(4-methoxy-4-methylpiperidin-1-yl)methanone;2-[(Z)-3-fluoro-2-[[5-(4-methoxy-4-methylpiperidine-1-carbonyl)indol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione;hydrochloride
CID 163949866
2-[(Z)-2-[[5-(azetidine-1-carbonyl)indol-1-yl]methyl]-3-fluoroprop-2-enyl]isoindole-1,3-dione;azetidin-1-yl(1H-indol-5-yl)methanone;2-[(E)-2-(bromomethyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione
CID 163636557
1-(2-oxopropyl)indole-5-carboxylic acid
CID 90317816
2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 166364808
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-[3-fluoro-2-[[5-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]methyl]prop-2-enyl]isoindole-1,3-dione
CID 175039807
(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 125155690
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide
CID 107920546
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
CID 68624872

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride (CID 154637486) is [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride is Cl.NC/C(=C\F)Cn1ccc2cc(C(=O)N3CCCC3)ccc21.
What is the InChIKey of [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The InChIKey is ZYZXXIVEFVOEOQ-RSGUCCNWSA-N. The full InChI is InChI=1S/C17H20FN3O.ClH/c18-10-13(11-19)12-21-8-5-14-9-15(3-4-16(14)21)17(22)20-6-1-2-7-20;/h3-5,8-10H,1-2,6-7,11-12,19H2;1H/b13-10+;.
What are the key properties of [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
[1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]indol-5-yl]-pyrrolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 154637486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).