(1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol

C9H11NO2 — CID 95241574

IUPAC(1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol
SMILESN[C@@H]1Cc2c(O)cccc2[C@@H]1O
InChIInChI=1S/C9H11NO2/c10-7-4-6-5(9(7)12)2-1-3-8(6)11/h1-3,7,9,11-12H,4,10H2/t7-,9+/m1/s1
InChIKeyNCZWZYJTZSWFAY-APPZFPTMSA-N
MW165.19 g/mol
LogP0.31
Rot. Bonds

About (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol

(1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol (PubChem CID 95241574) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol
PubChem CID95241574
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol
SMILESN[C@@H]1Cc2c(O)cccc2[C@@H]1O
InChIInChI=1S/C9H11NO2/c10-7-4-6-5(9(7)12)2-1-3-8(6)11/h1-3,7,9,11-12H,4,10H2/t7-,9+/m1/s1
InChIKeyNCZWZYJTZSWFAY-APPZFPTMSA-N
XLogP0.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 166125977
ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 166125578
(4S,5S)-4-amino-1,3,4,5-tetrahydrobenzo[cd]indol-5-ol
CID 131862945
2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride
CID 21425584
(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol
CID 51557059
1-methoxy-2-methyl-2,3-dihydro-1H-inden-4-ol
CID 59832529
3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol
CID 130385268
(1R,2R,3R)-2-amino-3-deuterio-2,3-dihydro-1H-inden-1-ol
CID 10582937
(3S,4R)-3-propyl-3,4-dihydro-1H-isochromene-4,8-diol
CID 156581881
6-amino-2-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-ol
CID 84662664
methyl 1,5-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 115033200

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol?
The IUPAC name of (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol (CID 95241574) is (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol.
What is the SMILES notation for (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol?
The canonical SMILES for (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol is N[C@@H]1Cc2c(O)cccc2[C@@H]1O.
What is the InChIKey of (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol?
The InChIKey is NCZWZYJTZSWFAY-APPZFPTMSA-N. The full InChI is InChI=1S/C9H11NO2/c10-7-4-6-5(9(7)12)2-1-3-8(6)11/h1-3,7,9,11-12H,4,10H2/t7-,9+/m1/s1.
What are the key properties of (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol?
(1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol has a molecular weight of 165.19 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol is sourced from PubChem (CID 95241574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).