3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol

C12H15NO — CID 130479478

IUPAC3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol
SMILESOC1(c2ccc3c(c2)CCC3)CNC1
InChIInChI=1S/C12H15NO/c14-12(7-13-8-12)11-5-4-9-2-1-3-10(9)6-11/h4-6,13-14H,1-3,7-8H2
InChIKeyJMRXTJCATYZVIZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.97
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol

3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol (PubChem CID 130479478) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol
PubChem CID130479478
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol
SMILESOC1(c2ccc3c(c2)CCC3)CNC1
InChIInChI=1S/C12H15NO/c14-12(7-13-8-12)11-5-4-9-2-1-3-10(9)6-11/h4-6,13-14H,1-3,7-8H2
InChIKeyJMRXTJCATYZVIZ-UHFFFAOYSA-N
XLogP0.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)azetidin-3-ol;hydrochloride
CID 122164542
3-(3-methoxy-4-methylphenyl)azetidin-3-ol
CID 130052049
[1-(2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanol
CID 83686763
1-[1-(2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanone
CID 83686495
3-(5-bromo-2-fluorophenyl)azetidin-3-ol
CID 79742267
[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol
CID 116829694
2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane
CID 82126227
[1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanol
CID 116963428
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-oxazolidin-2-one
CID 82048800
3-(3,4-difluorophenyl)piperidin-3-ol
CID 63588300
4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 66523324
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol (CID 130479478) is 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol is OC1(c2ccc3c(c2)CCC3)CNC1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol?
The InChIKey is JMRXTJCATYZVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(7-13-8-12)11-5-4-9-2-1-3-10(9)6-11/h4-6,13-14H,1-3,7-8H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol?
3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol has a molecular weight of 189.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol is sourced from PubChem (CID 130479478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).