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

C13H17NO — CID 129390892

IUPAC(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CC[C@@H]2N1CCCC1
InChIInChI=1S/C13H17NO/c15-11-4-5-12-10(9-11)3-6-13(12)14-7-1-2-8-14/h4-5,9,13,15H,1-3,6-8H2/t13-/m0/s1
InChIKeyOXTSVJYIEFTUFI-ZDUSSCGKSA-N
MW203.29 g/mol
LogP2.48
Rot. Bonds1

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

(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol (PubChem CID 129390892) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
PubChem CID129390892
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CC[C@@H]2N1CCCC1
InChIInChI=1S/C13H17NO/c15-11-4-5-12-10(9-11)3-6-13(12)14-7-1-2-8-14/h4-5,9,13,15H,1-3,6-8H2/t13-/m0/s1
InChIKeyOXTSVJYIEFTUFI-ZDUSSCGKSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129389365
1-(4-ethylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684921
8-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 86154069
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol
CID 107684985
5-(4-ethylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82985819
1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 105471084
1-(2,2,6,6-tetramethylmorpholin-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 107685147
1-(3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684922
1-(2-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107685129
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol
CID 107684907
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 104961917
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol (CID 129390892) is (1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CC[C@@H]2N1CCCC1.
What is the InChIKey of (1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is OXTSVJYIEFTUFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO/c15-11-4-5-12-10(9-11)3-6-13(12)14-7-1-2-8-14/h4-5,9,13,15H,1-3,6-8H2/t13-/m0/s1.
What are the key properties of (1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol?
(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 203.29 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 129390892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).