(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]

C12H15NO — CID 124511846

IUPAC(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]
SMILESCOc1ccc2c(c1)[C@@]1(CCN1)CC2
InChIInChI=1S/C12H15NO/c1-14-10-3-2-9-4-5-12(6-7-13-12)11(9)8-10/h2-3,8,13H,4-7H2,1H3/t12-/m0/s1
InChIKeyVBHQNNKWKCQWAX-LBPRGKRZSA-N
MW189.26 g/mol
LogP1.83
Rot. Bonds1

About (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]

(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine] (PubChem CID 124511846) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine].

Molecular Properties

Compound Name(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]
PubChem CID124511846
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]
SMILESCOc1ccc2c(c1)[C@@]1(CCN1)CC2
InChIInChI=1S/C12H15NO/c1-14-10-3-2-9-4-5-12(6-7-13-12)11(9)8-10/h2-3,8,13H,4-7H2,1H3/t12-/m0/s1
InChIKeyVBHQNNKWKCQWAX-LBPRGKRZSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine] with MolForge

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Related Compounds

1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
(3aS,9bR)-8-methoxy-9b-methyl-1,2,3,3a,4,5-hexahydrobenzo[e]indole
CID 132566320
2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
CID 79373998
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
6-methoxy-1-pyrrolidin-2-yl-2,3-dihydroinden-1-ol
CID 79375065
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]?
The IUPAC name of (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine] (CID 124511846) is (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine].
What is the SMILES notation for (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]?
The canonical SMILES for (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine] is COc1ccc2c(c1)[C@@]1(CCN1)CC2.
What is the InChIKey of (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]?
The InChIKey is VBHQNNKWKCQWAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO/c1-14-10-3-2-9-4-5-12(6-7-13-12)11(9)8-10/h2-3,8,13H,4-7H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]?
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine] has a molecular weight of 189.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine] is sourced from PubChem (CID 124511846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).