3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole

C12H14N2O — CID 171196660

IUPAC3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc([C@@H]3CCN3)c2c1
InChIInChI=1S/C12H14N2O/c1-15-8-2-3-11-9(6-8)10(7-14-11)12-4-5-13-12/h2-3,6-7,12-14H,4-5H2,1H3/t12-/m0/s1
InChIKeyRWCIISNEENCLOB-LBPRGKRZSA-N
MW202.26 g/mol
LogP2.21
Rot. Bonds2

About 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole

3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole (PubChem CID 171196660) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
PubChem CID171196660
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc([C@@H]3CCN3)c2c1
InChIInChI=1S/C12H14N2O/c1-15-8-2-3-11-9(6-8)10(7-14-11)12-4-5-13-12/h2-3,6-7,12-14H,4-5H2,1H3/t12-/m0/s1
InChIKeyRWCIISNEENCLOB-LBPRGKRZSA-N
XLogP2.21
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 15254976
3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole
CID 55263522
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
(2R)-2-(2-iodo-5-methoxyphenyl)azetidine
CID 130626622
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 134818183
2-(5-methoxy-1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
CID 68647559
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole?
The IUPAC name of 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole (CID 171196660) is 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole is COc1ccc2[nH]cc([C@@H]3CCN3)c2c1.
What is the InChIKey of 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole?
The InChIKey is RWCIISNEENCLOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2O/c1-15-8-2-3-11-9(6-8)10(7-14-11)12-4-5-13-12/h2-3,6-7,12-14H,4-5H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole?
3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole has a molecular weight of 202.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole is sourced from PubChem (CID 171196660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).