(5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid

C10H10BrNO3 — CID 69194674

IUPAC(5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid
SMILESO=C(O)NC1Cc2cc(O)c(Br)cc2C1
InChIInChI=1S/C10H10BrNO3/c11-8-3-5-1-7(12-10(14)15)2-6(5)4-9(8)13/h3-4,7,12-13H,1-2H2,(H,14,15)
InChIKeyDWAPYRXGTCJTTG-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.89
Rot. Bonds1

About (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid

(5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid (PubChem CID 69194674) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid
PubChem CID69194674
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name(5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid
SMILESO=C(O)NC1Cc2cc(O)c(Br)cc2C1
InChIInChI=1S/C10H10BrNO3/c11-8-3-5-1-7(12-10(14)15)2-6(5)4-9(8)13/h3-4,7,12-13H,1-2H2,(H,14,15)
InChIKeyDWAPYRXGTCJTTG-UHFFFAOYSA-N
XLogP1.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid?
The IUPAC name of (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid (CID 69194674) is (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid.
What is the SMILES notation for (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid?
The canonical SMILES for (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid is O=C(O)NC1Cc2cc(O)c(Br)cc2C1.
What is the InChIKey of (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid?
The InChIKey is DWAPYRXGTCJTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-8-3-5-1-7(12-10(14)15)2-6(5)4-9(8)13/h3-4,7,12-13H,1-2H2,(H,14,15).
What are the key properties of (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid?
(5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid has a molecular weight of 272.10 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid is sourced from PubChem (CID 69194674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).