1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol

C9H10ClNO — CID 45043194

IUPAC1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol
SMILESNC1c2cc(Cl)ccc2CC1O
InChIInChI=1S/C9H10ClNO/c10-6-2-1-5-3-8(12)9(11)7(5)4-6/h1-2,4,8-9,12H,3,11H2
InChIKeyJQEZHCRRILWBQT-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.26
Rot. Bonds

About 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol

1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol (PubChem CID 45043194) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol
PubChem CID45043194
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol
SMILESNC1c2cc(Cl)ccc2CC1O
InChIInChI=1S/C9H10ClNO/c10-6-2-1-5-3-8(12)9(11)7(5)4-6/h1-2,4,8-9,12H,3,11H2
InChIKeyJQEZHCRRILWBQT-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol (CID 45043194) is 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol is NC1c2cc(Cl)ccc2CC1O.
What is the InChIKey of 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol?
The InChIKey is JQEZHCRRILWBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-6-2-1-5-3-8(12)9(11)7(5)4-6/h1-2,4,8-9,12H,3,11H2.
What are the key properties of 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol?
1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol has a molecular weight of 183.64 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 45043194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).