[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate

C10H10ClNO3 — CID 134294937

IUPAC[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESNC(=O)O[C@@H]1c2c(Cl)cccc2C[C@@H]1O
InChIInChI=1S/C10H10ClNO3/c11-6-3-1-2-5-4-7(13)9(8(5)6)15-10(12)14/h1-3,7,9,13H,4H2,(H2,12,14)/t7-,9-/m0/s1
InChIKeyYFOZSRHPRFAOHL-CBAPKCEASA-N
MW227.65 g/mol
LogP1.39
Rot. Bonds1

About [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate

[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate (PubChem CID 134294937) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate.

Molecular Properties

Compound Name[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate
PubChem CID134294937
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESNC(=O)O[C@@H]1c2c(Cl)cccc2C[C@@H]1O
InChIInChI=1S/C10H10ClNO3/c11-6-3-1-2-5-4-7(13)9(8(5)6)15-10(12)14/h1-3,7,9,13H,4H2,(H2,12,14)/t7-,9-/m0/s1
InChIKeyYFOZSRHPRFAOHL-CBAPKCEASA-N
XLogP1.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate
CID 134294946
[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate
CID 140845764
[(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate
CID 134294957
(1,8-dichloro-9,10-dihydroanthracen-9-yl) 2-bromoacetate
CID 101140247
[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 140845775
(1,8-dichloro-9,10-dihydroanthracen-9-yl) benzoate
CID 101140258
[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 134294908
trans-(1R,2R)-2-(2,6-dichlorophenyl)cyclopropane-1-carboxamide
CID 95860606
[(1R,2S)-7-fluoro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate
CID 134294948
[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208091
(1,8-dichloro-9,10-dihydroanthracen-9-yl) 2,4-dichlorobenzoate
CID 101140266
1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one
CID 4778105

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate?
The IUPAC name of [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate (CID 134294937) is [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate.
What is the SMILES notation for [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate?
The canonical SMILES for [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate is NC(=O)O[C@@H]1c2c(Cl)cccc2C[C@@H]1O.
What is the InChIKey of [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate?
The InChIKey is YFOZSRHPRFAOHL-CBAPKCEASA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-6-3-1-2-5-4-7(13)9(8(5)6)15-10(12)14/h1-3,7,9,13H,4H2,(H2,12,14)/t7-,9-/m0/s1.
What are the key properties of [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate?
[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate has a molecular weight of 227.65 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate is sourced from PubChem (CID 134294937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).