7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol

C11H15NO2 — CID 130663084

IUPAC7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol
SMILESN[C@H](CO)c1cc(O)cc2c1CCC2
InChIInChI=1S/C11H15NO2/c12-11(6-13)10-5-8(14)4-7-2-1-3-9(7)10/h4-5,11,13-14H,1-3,6,12H2/t11-/m1/s1
InChIKeyINVYVVLZNYKWDG-LLVKDONJSA-N
MW193.25 g/mol
LogP0.87
Rot. Bonds2

About 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol

7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 130663084) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID130663084
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol
SMILESN[C@H](CO)c1cc(O)cc2c1CCC2
InChIInChI=1S/C11H15NO2/c12-11(6-13)10-5-8(14)4-7-2-1-3-9(7)10/h4-5,11,13-14H,1-3,6,12H2/t11-/m1/s1
InChIKeyINVYVVLZNYKWDG-LLVKDONJSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 117392843
2-amino-2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanol
CID 117427965
(2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
CID 131215495
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
ethane;4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 145378366
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620
4-methylsulfanyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-ol
CID 11790799
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
CID 18770874

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol (CID 130663084) is 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol is N[C@H](CO)c1cc(O)cc2c1CCC2.
What is the InChIKey of 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is INVYVVLZNYKWDG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO2/c12-11(6-13)10-5-8(14)4-7-2-1-3-9(7)10/h4-5,11,13-14H,1-3,6,12H2/t11-/m1/s1.
What are the key properties of 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol?
7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 193.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 130663084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).