3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol

C14H17NO — CID 70412152

IUPAC3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CC(C2CCCC=N2)c2ccccc21
InChIInChI=1S/C14H17NO/c16-14-9-12(13-7-3-4-8-15-13)10-5-1-2-6-11(10)14/h1-2,5-6,8,12-14,16H,3-4,7,9H2
InChIKeyQFBCMPVXECNEGJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.83
Rot. Bonds1

About 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol

3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 70412152) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol
PubChem CID70412152
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CC(C2CCCC=N2)c2ccccc21
InChIInChI=1S/C14H17NO/c16-14-9-12(13-7-3-4-8-15-13)10-5-1-2-6-11(10)14/h1-2,5-6,8,12-14,16H,3-4,7,9H2
InChIKeyQFBCMPVXECNEGJ-UHFFFAOYSA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol (CID 70412152) is 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol is OC1CC(C2CCCC=N2)c2ccccc21.
What is the InChIKey of 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is QFBCMPVXECNEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14-9-12(13-7-3-4-8-15-13)10-5-1-2-6-11(10)14/h1-2,5-6,8,12-14,16H,3-4,7,9H2.
What are the key properties of 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol?
3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 70412152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).