(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol

C9H10ClNO — CID 55278137

IUPAC(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
SMILESN[C@@H]1CCc2c(O)ccc(Cl)c21
InChIInChI=1S/C9H10ClNO/c10-6-2-4-8(12)5-1-3-7(11)9(5)6/h2,4,7,12H,1,3,11H2/t7-/m1/s1
InChIKeyPOHFZSWMXHYKRC-SSDOTTSWSA-N
MW183.64 g/mol
LogP1.99
Rot. Bonds

About (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol

(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol (PubChem CID 55278137) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
PubChem CID55278137
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
SMILESN[C@@H]1CCc2c(O)ccc(Cl)c21
InChIInChI=1S/C9H10ClNO/c10-6-2-4-8(12)5-1-3-7(11)9(5)6/h2,4,7,12H,1,3,11H2/t7-/m1/s1
InChIKeyPOHFZSWMXHYKRC-SSDOTTSWSA-N
XLogP1.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol (CID 55278137) is (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol is N[C@@H]1CCc2c(O)ccc(Cl)c21.
What is the InChIKey of (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol?
The InChIKey is POHFZSWMXHYKRC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-6-2-4-8(12)5-1-3-7(11)9(5)6/h2,4,7,12H,1,3,11H2/t7-/m1/s1.
What are the key properties of (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol?
(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol has a molecular weight of 183.64 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 55278137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).