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

C12H14ClNO4 — CID 134294946

IUPAC[(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate
SMILESCOCO[C@@H]1c2c(Cl)cccc2C[C@@H]1OC(N)=O
InChIInChI=1S/C12H14ClNO4/c1-16-6-17-11-9(18-12(14)15)5-7-3-2-4-8(13)10(7)11/h2-4,9,11H,5-6H2,1H3,(H2,14,15)/t9-,11-/m0/s1
InChIKeySKNJHCODBBUNAL-ONGXEEELSA-N
MW271.70 g/mol
LogP2.02
Rot. Bonds4

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

[(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate (PubChem CID 134294946) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is [(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate.

Molecular Properties

Compound Name[(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate
PubChem CID134294946
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name[(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate
SMILESCOCO[C@@H]1c2c(Cl)cccc2C[C@@H]1OC(N)=O
InChIInChI=1S/C12H14ClNO4/c1-16-6-17-11-9(18-12(14)15)5-7-3-2-4-8(13)10(7)11/h2-4,9,11H,5-6H2,1H3,(H2,14,15)/t9-,11-/m0/s1
InChIKeySKNJHCODBBUNAL-ONGXEEELSA-N
XLogP2.02
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate?
The IUPAC name of [(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate (CID 134294946) is [(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate.
What is the SMILES notation for [(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate?
The canonical SMILES for [(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate is COCO[C@@H]1c2c(Cl)cccc2C[C@@H]1OC(N)=O.
What is the InChIKey of [(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate?
The InChIKey is SKNJHCODBBUNAL-ONGXEEELSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-16-6-17-11-9(18-12(14)15)5-7-3-2-4-8(13)10(7)11/h2-4,9,11H,5-6H2,1H3,(H2,14,15)/t9-,11-/m0/s1.
What are the key properties of [(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate?
[(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate has a molecular weight of 271.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate is sourced from PubChem (CID 134294946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).