2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole

C12H14N2 — CID 130706625

IUPAC2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole
SMILESCc1cccc2cc([C@@H]3CCN3)[nH]c12
InChIInChI=1S/C12H14N2/c1-8-3-2-4-9-7-11(14-12(8)9)10-5-6-13-10/h2-4,7,10,13-14H,5-6H2,1H3/t10-/m0/s1
InChIKeyYDTKJVCSOPYZTI-JTQLQIEISA-N
MW186.26 g/mol
LogP2.51
Rot. Bonds1

About 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole

2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole (PubChem CID 130706625) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole
PubChem CID130706625
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole
SMILESCc1cccc2cc([C@@H]3CCN3)[nH]c12
InChIInChI=1S/C12H14N2/c1-8-3-2-4-9-7-11(14-12(8)9)10-5-6-13-10/h2-4,7,10,13-14H,5-6H2,1H3/t10-/m0/s1
InChIKeyYDTKJVCSOPYZTI-JTQLQIEISA-N
XLogP2.51
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
CID 82667478
6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84622007
6-chloro-7-methyl-2-piperidin-2-yl-1H-indole
CID 84633377
(2R)-2-(2,3-dimethylphenyl)azetidine
CID 130714481
7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole
CID 165356820
(2S)-2-(2-fluoro-3-methylphenyl)azetidine
CID 131182197
trimethyl-(7-methyl-1H-indol-2-yl)silane
CID 15121722
N-methyl-1-(7-methyl-1H-indol-2-yl)ethanamine
CID 65333714
2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole
CID 130730124
2-[(2S)-azetidin-2-yl]-1H-indol-5-amine
CID 55272809
7-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 18797218
(2R)-2-(4-methylnaphthalen-1-yl)azetidine;hydrochloride
CID 171197351

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole (CID 130706625) is 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole is Cc1cccc2cc([C@@H]3CCN3)[nH]c12.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole?
The InChIKey is YDTKJVCSOPYZTI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2/c1-8-3-2-4-9-7-11(14-12(8)9)10-5-6-13-10/h2-4,7,10,13-14H,5-6H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole?
2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole has a molecular weight of 186.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole is sourced from PubChem (CID 130706625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).