[(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid

C11H12BrNO3 — CID 170305208

IUPAC[(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESCO[C@@H]1Cc2c(Br)cccc2[C@H]1NC(=O)O
InChIInChI=1S/C11H12BrNO3/c1-16-9-5-7-6(3-2-4-8(7)12)10(9)13-11(14)15/h2-4,9-10,13H,5H2,1H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyLUVWHOWLUQMZJA-NXEZZACHSA-N
MW286.13 g/mol
LogP2.33
Rot. Bonds2

About [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid

[(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid (PubChem CID 170305208) has the molecular formula C11H12BrNO3 and a molecular weight of 286.13 g/mol. Its IUPAC name is [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
PubChem CID170305208
Molecular FormulaC11H12BrNO3
Molecular Weight286.13 g/mol
Exact Mass285.00
IUPAC Name[(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESCO[C@@H]1Cc2c(Br)cccc2[C@H]1NC(=O)O
InChIInChI=1S/C11H12BrNO3/c1-16-9-5-7-6(3-2-4-8(7)12)10(9)13-11(14)15/h2-4,9-10,13H,5H2,1H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyLUVWHOWLUQMZJA-NXEZZACHSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 115050456
ethyl 2-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 131530657
(3R)-5-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
CID 156762888
(1R,1aR,6aS)-5-bromo-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 125449039
methyl (2S)-5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 70230270
methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433551
methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
CID 131278593
(1S,2S)-4-bromo-1-(2-phenylmethoxyethylamino)-2,3-dihydro-1H-inden-2-ol
CID 160601911
8-bromo-N,3-diethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356700
ethyl (1S,2R)-4-bromo-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indene-2-carboxylate
CID 168771430
methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
CID 115024529
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The IUPAC name of [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid (CID 170305208) is [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid.
What is the SMILES notation for [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The canonical SMILES for [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid is CO[C@@H]1Cc2c(Br)cccc2[C@H]1NC(=O)O.
What is the InChIKey of [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The InChIKey is LUVWHOWLUQMZJA-NXEZZACHSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-16-9-5-7-6(3-2-4-8(7)12)10(9)13-11(14)15/h2-4,9-10,13H,5H2,1H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
[(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid has a molecular weight of 286.13 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-4-bromo-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid is sourced from PubChem (CID 170305208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).