(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol

C9H11NO — CID 12013036

IUPAC(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol
SMILESN[C@@H]1C[C@H](O)c2ccccc21
InChIInChI=1S/C9H11NO/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1
InChIKeyPRVIGUZMXLBANS-BDAKNGLRSA-N
MW149.19 g/mol
LogP1.12
Rot. Bonds

About (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol

(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol (PubChem CID 12013036) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol
PubChem CID12013036
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol
SMILESN[C@@H]1C[C@H](O)c2ccccc21
InChIInChI=1S/C9H11NO/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1
InChIKeyPRVIGUZMXLBANS-BDAKNGLRSA-N
XLogP1.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol (CID 12013036) is (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol is N[C@@H]1C[C@H](O)c2ccccc21.
What is the InChIKey of (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol?
The InChIKey is PRVIGUZMXLBANS-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H11NO/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1.
What are the key properties of (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol?
(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol has a molecular weight of 149.19 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 12013036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).