N-methoxy-4-nitro-2,3-dihydroinden-1-imine

C10H10N2O3 — CID 86623793

IUPACN-methoxy-4-nitro-2,3-dihydroinden-1-imine
SMILESCON=C1CCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C10H10N2O3/c1-15-11-9-6-5-8-7(9)3-2-4-10(8)12(13)14/h2-4H,5-6H2,1H3
InChIKeyBWXMAOFLMIVMER-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.89
Rot. Bonds2

About N-methoxy-4-nitro-2,3-dihydroinden-1-imine

N-methoxy-4-nitro-2,3-dihydroinden-1-imine (PubChem CID 86623793) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-methoxy-4-nitro-2,3-dihydroinden-1-imine.

Molecular Properties

Compound NameN-methoxy-4-nitro-2,3-dihydroinden-1-imine
PubChem CID86623793
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN-methoxy-4-nitro-2,3-dihydroinden-1-imine
SMILESCON=C1CCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C10H10N2O3/c1-15-11-9-6-5-8-7(9)3-2-4-10(8)12(13)14/h2-4H,5-6H2,1H3
InChIKeyBWXMAOFLMIVMER-UHFFFAOYSA-N
XLogP1.89
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine
CID 177390082
3-methyl-5-nitro-3,4-dihydro-2H-naphthalen-1-one
CID 22719036
2-methyl-3-methylidene-7-nitro-1H-isoindole
CID 150199954
5-nitro-4-(1-oxo-2,3-dihydroinden-4-yl)-2,3-dihydroinden-1-one
CID 118000468
methyl (2R)-4-nitro-2,3-dihydro-1H-indene-2-carboxylate
CID 95479919
2-methoxy-4-nitro-1,3-dihydroisoindole;hydrochloride
CID 67553405
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
N-(2-nitrophenoxy)cycloheptanimine
CID 54392329
5-nitro-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide
CID 162715820
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
2-hydroxy-4-nitro-2,3-dihydroinden-1-one
CID 154380962
[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] benzoate
CID 689993

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-nitro-2,3-dihydroinden-1-imine?
The IUPAC name of N-methoxy-4-nitro-2,3-dihydroinden-1-imine (CID 86623793) is N-methoxy-4-nitro-2,3-dihydroinden-1-imine.
What is the SMILES notation for N-methoxy-4-nitro-2,3-dihydroinden-1-imine?
The canonical SMILES for N-methoxy-4-nitro-2,3-dihydroinden-1-imine is CON=C1CCc2c1cccc2[N+](=O)[O-].
What is the InChIKey of N-methoxy-4-nitro-2,3-dihydroinden-1-imine?
The InChIKey is BWXMAOFLMIVMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-11-9-6-5-8-7(9)3-2-4-10(8)12(13)14/h2-4H,5-6H2,1H3.
What are the key properties of N-methoxy-4-nitro-2,3-dihydroinden-1-imine?
N-methoxy-4-nitro-2,3-dihydroinden-1-imine has a molecular weight of 206.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-nitro-2,3-dihydroinden-1-imine is sourced from PubChem (CID 86623793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).