(E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine

C18H18N2O5 — CID 87138614

IUPAC(E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine
SMILESCOc1cc2c(cc1OC)/C(=N/OCc1ccc([N+](=O)[O-])cc1)CC2
InChIInChI=1S/C18H18N2O5/c1-23-17-9-13-5-8-16(15(13)10-18(17)24-2)19-25-11-12-3-6-14(7-4-12)20(21)22/h3-4,6-7,9-10H,5,8,11H2,1-2H3/b19-16+
InChIKeyDQRNMRHLHGUHMM-KNTRCKAVSA-N
MW342.35 g/mol
LogP3.48
Rot. Bonds6

About (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine

(E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine (PubChem CID 87138614) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name(E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine
PubChem CID87138614
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine
SMILESCOc1cc2c(cc1OC)/C(=N/OCc1ccc([N+](=O)[O-])cc1)CC2
InChIInChI=1S/C18H18N2O5/c1-23-17-9-13-5-8-16(15(13)10-18(17)24-2)19-25-11-12-3-6-14(7-4-12)20(21)22/h3-4,6-7,9-10H,5,8,11H2,1-2H3/b19-16+
InChIKeyDQRNMRHLHGUHMM-KNTRCKAVSA-N
XLogP3.48
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

6-hydroxy-5-methyl-2,3-dihydroinden-1-one;(3E)-6-methyl-3-[(4-nitrophenyl)methoxyimino]-1,2-dihydroinden-5-ol;O-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 172971331
6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium
CID 11812872
6,7-dimethoxy-2-methyl-1-(4-nitrophenyl)-3,4-dihydroisoquinolin-2-ium
CID 11048705
(2R)-6,7-dimethoxy-2-(4-nitrophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 99770218
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175
(NE)-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898086
[2-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanol
CID 1315933
2-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 1342916
2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol
CID 25100557
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol
CID 71568732
5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
CID 162519959

Frequently Asked Questions

What is the IUPAC name of (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine?
The IUPAC name of (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine (CID 87138614) is (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine.
What is the SMILES notation for (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine?
The canonical SMILES for (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine is COc1cc2c(cc1OC)/C(=N/OCc1ccc([N+](=O)[O-])cc1)CC2.
What is the InChIKey of (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine?
The InChIKey is DQRNMRHLHGUHMM-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-17-9-13-5-8-16(15(13)10-18(17)24-2)19-25-11-12-3-6-14(7-4-12)20(21)22/h3-4,6-7,9-10H,5,8,11H2,1-2H3/b19-16+.
What are the key properties of (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine?
(E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine has a molecular weight of 342.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine is sourced from PubChem (CID 87138614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).