1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride

C13H19ClN2O2 — CID 120849941

IUPAC1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
SMILESCl.OC1CN(Cc2cccc3c2NCC3)CC1O
InChIInChI=1S/C13H18N2O2.ClH/c16-11-7-15(8-12(11)17)6-10-3-1-2-9-4-5-14-13(9)10;/h1-3,11-12,14,16-17H,4-8H2;1H
InChIKeyMLDGAZDMENBLNZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.61
Rot. Bonds2

About 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride

1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride (PubChem CID 120849941) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
PubChem CID120849941
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
SMILESCl.OC1CN(Cc2cccc3c2NCC3)CC1O
InChIInChI=1S/C13H18N2O2.ClH/c16-11-7-15(8-12(11)17)6-10-3-1-2-9-4-5-14-13(9)10;/h1-3,11-12,14,16-17H,4-8H2;1H
InChIKeyMLDGAZDMENBLNZ-UHFFFAOYSA-N
XLogP0.61
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277959
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidine-4-sulfonamide;hydrochloride
CID 120848251
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
3-cyclopropyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)imidazolidin-4-one;hydrochloride
CID 120857366
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride (CID 120849941) is 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride is Cl.OC1CN(Cc2cccc3c2NCC3)CC1O.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride?
The InChIKey is MLDGAZDMENBLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c16-11-7-15(8-12(11)17)6-10-3-1-2-9-4-5-14-13(9)10;/h1-3,11-12,14,16-17H,4-8H2;1H.
What are the key properties of 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride?
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride is sourced from PubChem (CID 120849941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).