(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine

C9H8N2O3 — CID 122491074

IUPAC(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESO=[N+]([O-])c1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C9H8N2O3/c12-10-9-4-1-6-5-7(11(13)14)2-3-8(6)9/h2-3,5,12H,1,4H2/b10-9+
InChIKeyRSPJBPMDOSROAZ-MDZDMXLPSA-N
MW192.17 g/mol
LogP1.72
Rot. Bonds1

About (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine

(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 122491074) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID122491074
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESO=[N+]([O-])c1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C9H8N2O3/c12-10-9-4-1-6-5-7(11(13)14)2-3-8(6)9/h2-3,5,12H,1,4H2/b10-9+
InChIKeyRSPJBPMDOSROAZ-MDZDMXLPSA-N
XLogP1.72
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 88795265
(NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine
CID 23290963
(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58826807
6-nitro-2-phosphanyl-3,4-dihydroisoquinolin-1-one
CID 58851470
3,7-dinitro-9,10-dihydrophenanthren-2-amine
CID 625211
2,6-dinitro-9H-fluorene
CID 3582885
(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
CID 5354534
(NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine
CID 142095043
3-nitro-9,10-dihydrophenanthrene
CID 614448
1-(13-nitro-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
CID 45277286
1,4-dinitrobenzene;nitrous acid
CID 174371180
3-methoxy-6-nitro-1H-indene
CID 159861665

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 122491074) is (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine is O=[N+]([O-])c1ccc2c(c1)CC/C2=N\O.
What is the InChIKey of (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is RSPJBPMDOSROAZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-10-9-4-1-6-5-7(11(13)14)2-3-8(6)9/h2-3,5,12H,1,4H2/b10-9+.
What are the key properties of (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine?
(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 192.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 122491074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).