1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione

C12H11FN2O2 — CID 103072739

IUPAC1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione
SMILESC=C(CN)CN1C(=O)C(=O)c2cccc(F)c21
InChIInChI=1S/C12H11FN2O2/c1-7(5-14)6-15-10-8(11(16)12(15)17)3-2-4-9(10)13/h2-4H,1,5-6,14H2
InChIKeyOJRDOCOLTWOHIH-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.87
Rot. Bonds3

About 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione

1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione (PubChem CID 103072739) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione
PubChem CID103072739
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione
SMILESC=C(CN)CN1C(=O)C(=O)c2cccc(F)c21
InChIInChI=1S/C12H11FN2O2/c1-7(5-14)6-15-10-8(11(16)12(15)17)3-2-4-9(10)13/h2-4H,1,5-6,14H2
InChIKeyOJRDOCOLTWOHIH-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-7-fluoroindole-2,3-dione
CID 84621035
7-bromo-1-(2-methylidenebutyl)indole-2,3-dione
CID 66046443
1-(2-ethylbutyl)-7-fluoroindole-2,3-dione
CID 58101394
1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione
CID 58101411
7-fluoro-1-[(2S)-2-methylbutyl]indole-2,3-dione
CID 58101404
7-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-2,3-dione
CID 116616336
1-[(2,3-dichlorophenyl)methyl]-7-fluoroindole-2,3-dione
CID 107306780
7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072173
[4-[(7-fluoro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl carbamimidothioate
CID 155235189
7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072125
7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 60711816
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione?
The IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione (CID 103072739) is 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione.
What is the SMILES notation for 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione?
The canonical SMILES for 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione is C=C(CN)CN1C(=O)C(=O)c2cccc(F)c21.
What is the InChIKey of 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione?
The InChIKey is OJRDOCOLTWOHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7(5-14)6-15-10-8(11(16)12(15)17)3-2-4-9(10)13/h2-4H,1,5-6,14H2.
What are the key properties of 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione?
1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione has a molecular weight of 234.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione is sourced from PubChem (CID 103072739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).