(E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine

C10H10N2O4 — CID 177390082

IUPAC(E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine
SMILESCO/N=C1\CCOc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-15-11-8-5-6-16-10-7(8)3-2-4-9(10)12(13)14/h2-4H,5-6H2,1H3/b11-8+
InChIKeyPCOKLXRBRODJKT-DHZHZOJOSA-N
MW222.20 g/mol
LogP1.73
Rot. Bonds2

About (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine

(E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine (PubChem CID 177390082) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine.

Molecular Properties

Compound Name(E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine
PubChem CID177390082
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine
SMILESCO/N=C1\CCOc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-15-11-8-5-6-16-10-7(8)3-2-4-9(10)12(13)14/h2-4H,5-6H2,1H3/b11-8+
InChIKeyPCOKLXRBRODJKT-DHZHZOJOSA-N
XLogP1.73
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-methoxy-4-nitro-2,3-dihydroinden-1-imine
CID 86623793
2-[(8-nitro-2,3-dihydrochromen-4-ylidene)amino]guanidine
CID 74558917
4-ethyl-9-nitro-2,3-dihydro-1,4-benzoxazepin-5-one
CID 121378947
1-methyl-8-nitro-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine
CID 139581218
(3S)-3-[(1S)-1-hydroxyethyl]-9-nitro-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 139581336
(2R)-2-methoxy-5-nitro-2,3-dihydro-1,4-benzodioxine
CID 174356582
8-nitro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 46907963
7-nitrospiro[1-benzofuran-2,1'-cyclopropane]-3-one
CID 12925987
[(1S)-1-[(3S)-9-nitro-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-3-yl]ethyl] acetate
CID 139581187
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide
CID 10736902
ethane;2-nitro-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 174816441
7-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 55294579

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine?
The IUPAC name of (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine (CID 177390082) is (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine.
What is the SMILES notation for (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine?
The canonical SMILES for (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine is CO/N=C1\CCOc2c1cccc2[N+](=O)[O-].
What is the InChIKey of (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine?
The InChIKey is PCOKLXRBRODJKT-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-15-11-8-5-6-16-10-7(8)3-2-4-9(10)12(13)14/h2-4H,5-6H2,1H3/b11-8+.
What are the key properties of (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine?
(E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine has a molecular weight of 222.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-8-nitro-2,3-dihydrochromen-4-imine is sourced from PubChem (CID 177390082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).