N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine

C13H15FN2 — CID 126490846

IUPACN-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)N(C)C2=CC=C(F)CC21
InChIInChI=1S/C13H15FN2/c1-9-11(6-7-15-2)12-8-10(14)4-5-13(12)16(9)3/h4-7,12H,2,8H2,1,3H3/b7-6-
InChIKeyDLXLXTWLPPVEOT-SREVYHEPSA-N
MW218.27 g/mol
LogP3.18
Rot. Bonds2

About N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine

N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine (PubChem CID 126490846) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine
PubChem CID126490846
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC NameN-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)N(C)C2=CC=C(F)CC21
InChIInChI=1S/C13H15FN2/c1-9-11(6-7-15-2)12-8-10(14)4-5-13(12)16(9)3/h4-7,12H,2,8H2,1,3H3/b7-6-
InChIKeyDLXLXTWLPPVEOT-SREVYHEPSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine (CID 126490846) is N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine is C=N/C=C\C1=C(C)N(C)C2=CC=C(F)CC21.
What is the InChIKey of N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine?
The InChIKey is DLXLXTWLPPVEOT-SREVYHEPSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9-11(6-7-15-2)12-8-10(14)4-5-13(12)16(9)3/h4-7,12H,2,8H2,1,3H3/b7-6-.
What are the key properties of N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine?
N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine has a molecular weight of 218.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(5-fluoro-1,2-dimethyl-3a,4-dihydroindol-3-yl)ethenyl]methanimine is sourced from PubChem (CID 126490846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).