N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine

C13H12N2S — CID 165346469

IUPACN-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine
SMILESC(=NN1CCc2ccccc21)c1cccs1
InChIInChI=1S/C13H12N2S/c1-2-6-13-11(4-1)7-8-15(13)14-10-12-5-3-9-16-12/h1-6,9-10H,7-8H2
InChIKeyVQEDKXLJSQGMGE-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.14
Rot. Bonds2

About N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine

N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine (PubChem CID 165346469) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine
PubChem CID165346469
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC NameN-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine
SMILESC(=NN1CCc2ccccc21)c1cccs1
InChIInChI=1S/C13H12N2S/c1-2-6-13-11(4-1)7-8-15(13)14-10-12-5-3-9-16-12/h1-6,9-10H,7-8H2
InChIKeyVQEDKXLJSQGMGE-UHFFFAOYSA-N
XLogP3.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine
CID 12914611
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
CID 12023374
N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
CID 761163
1-azido-2,3-dihydroindole
CID 54253401
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 3502051
2,3-dihydroindol-1-ylsilane
CID 149251229
2,3-dihydroindol-1-amine;dihydrochloride
CID 172716948
1-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
CID 135683533
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5053534
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide
CID 18577734
(E)-1-[2-[(E)-2,3-dihydroindol-1-yliminomethyl]phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 53376070
1,2-dimethyl-3,4-dihydrocinnoline
CID 54095235

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine (CID 165346469) is N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine is C(=NN1CCc2ccccc21)c1cccs1.
What is the InChIKey of N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine?
The InChIKey is VQEDKXLJSQGMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-2-6-13-11(4-1)7-8-15(13)14-10-12-5-3-9-16-12/h1-6,9-10H,7-8H2.
What are the key properties of N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine?
N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine has a molecular weight of 228.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 165346469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).