methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate

C11H11NO4 — CID 95479919

IUPACmethyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cccc([N+](=O)[O-])c2C1
InChIInChI=1S/C11H11NO4/c1-16-11(13)8-5-7-3-2-4-10(12(14)15)9(7)6-8/h2-4,8H,5-6H2,1H3/t8-/m1/s1
InChIKeyKRHARWFTTQYZPM-MRVPVSSYSA-N
MW221.21 g/mol
LogP1.48
Rot. Bonds2

About methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate

methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 95479919) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID95479919
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cccc([N+](=O)[O-])c2C1
InChIInChI=1S/C11H11NO4/c1-16-11(13)8-5-7-3-2-4-10(12(14)15)9(7)6-8/h2-4,8H,5-6H2,1H3/t8-/m1/s1
InChIKeyKRHARWFTTQYZPM-MRVPVSSYSA-N
XLogP1.48
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
N-methyl-1-(4-nitro-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 71648194
methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate
CID 67992187
5-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 10846656
[(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
CID 97169062
methyl azetidine-3-carboxylate;4-nitro-2,1,3-benzoxadiazole
CID 175355474
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
methyl 1-(2-methyl-6-nitrophenyl)piperidine-2-carboxylate
CID 115554053
methyl 1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxylate
CID 75497619
N-cyclopropyl-1-[(2S)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
CID 97170187
methyl 1-(2-nitrobenzoyl)pyrrolidine-3-carboxylate
CID 47340240
2-methoxy-4-nitro-1,3-dihydroisoindole;hydrochloride
CID 67553405

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate (CID 95479919) is methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)[C@@H]1Cc2cccc([N+](=O)[O-])c2C1.
What is the InChIKey of methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is KRHARWFTTQYZPM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-16-11(13)8-5-7-3-2-4-10(12(14)15)9(7)6-8/h2-4,8H,5-6H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate?
methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 221.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 95479919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).