(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol

C14H19NO — CID 58393646

IUPAC(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2C[C@@H]1CN1CCCC1
InChIInChI=1S/C14H19NO/c16-14-12(10-15-7-3-4-8-15)9-11-5-1-2-6-13(11)14/h1-2,5-6,12,14,16H,3-4,7-10H2/t12-,14?/m1/s1
InChIKeyHWLFKYQMLXLWCI-PUODRLBUSA-N
MW217.31 g/mol
LogP1.99
Rot. Bonds2

About (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol

(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 58393646) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID58393646
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2C[C@@H]1CN1CCCC1
InChIInChI=1S/C14H19NO/c16-14-12(10-15-7-3-4-8-15)9-11-5-1-2-6-13(11)14/h1-2,5-6,12,14,16H,3-4,7-10H2/t12-,14?/m1/s1
InChIKeyHWLFKYQMLXLWCI-PUODRLBUSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
2-(2-ethylbutyl)-2,3-dihydro-1H-inden-1-ol
CID 82930706
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785
2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol
CID 113327265
2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol
CID 79227500
2-(2-methylpentyl)-2,3-dihydro-1H-inden-1-ol
CID 62264698
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol
CID 66363431
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
CID 66419716
3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188018
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol (CID 58393646) is (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2C[C@@H]1CN1CCCC1.
What is the InChIKey of (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is HWLFKYQMLXLWCI-PUODRLBUSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-12(10-15-7-3-4-8-15)9-11-5-1-2-6-13(11)14/h1-2,5-6,12,14,16H,3-4,7-10H2/t12-,14?/m1/s1.
What are the key properties of (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol?
(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 217.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 58393646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).