(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine

C9H8N2O4 — CID 88795265

IUPAC(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=N/O)CCO2
InChIInChI=1S/C9H8N2O4/c12-10-8-3-4-15-9-2-1-6(11(13)14)5-7(8)9/h1-2,5,12H,3-4H2/b10-8+
InChIKeyXQLQPWHFSVXJFA-CSKARUKUSA-N
MW208.17 g/mol
LogP1.56
Rot. Bonds1

About (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine

(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine (PubChem CID 88795265) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine
PubChem CID88795265
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=N/O)CCO2
InChIInChI=1S/C9H8N2O4/c12-10-8-3-4-15-9-2-1-6(11(13)14)5-7(8)9/h1-2,5,12H,3-4H2/b10-8+
InChIKeyXQLQPWHFSVXJFA-CSKARUKUSA-N
XLogP1.56
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(6-nitro-2,3-dihydrochromen-4-ylidene)acetic acid
CID 67763549
(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 122491074
(NE)-N-(6-methyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 52983831
9-nitro-3,4,5,6-tetrahydro-2H-1,7-benzodioxonine
CID 15048231
10-nitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
CID 15048232
29-nitro-2,5,8,11,14,17,20,23,26-nonaoxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene
CID 14294030
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
CID 101015123
(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
CID 5354534
4-methyl-8-nitro-2,3-dihydro-1,4-benzoxazepin-5-one
CID 67263378
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide
CID 117071561
11,24-dinitro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene;11,25-dinitro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 161384789
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenoxy)ethanone
CID 33494891

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine (CID 88795265) is (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine is O=[N+]([O-])c1ccc2c(c1)/C(=N/O)CCO2.
What is the InChIKey of (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The InChIKey is XQLQPWHFSVXJFA-CSKARUKUSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-10-8-3-4-15-9-2-1-6(11(13)14)5-7(8)9/h1-2,5,12H,3-4H2/b10-8+.
What are the key properties of (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine?
(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine has a molecular weight of 208.17 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 88795265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).