(NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine

C10H10N2O3 — CID 23290963

IUPAC(NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine
SMILESO=[N+]([O-])c1ccc2c(c1)C/C(=N\O)CC2
InChIInChI=1S/C10H10N2O3/c13-11-9-3-1-7-2-4-10(12(14)15)6-8(7)5-9/h2,4,6,13H,1,3,5H2/b11-9-
InChIKeyKAPVSBXLCMYUNK-LUAWRHEFSA-N
MW206.20 g/mol
LogP1.91
Rot. Bonds1

About (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine

(NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine (PubChem CID 23290963) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine
PubChem CID23290963
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine
SMILESO=[N+]([O-])c1ccc2c(c1)C/C(=N\O)CC2
InChIInChI=1S/C10H10N2O3/c13-11-9-3-1-7-2-4-10(12(14)15)6-8(7)5-9/h2,4,6,13H,1,3,5H2/b11-9-
InChIKeyKAPVSBXLCMYUNK-LUAWRHEFSA-N
XLogP1.91
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.91
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-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 122491074
2,6-dinitro-9H-fluorene
CID 3582885
1-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 6425473
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 66694887
3,3-dimethyl-7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-ium
CID 69140709
(NE)-N-(2,2-dimethyl-6-nitro-3H-inden-1-ylidene)hydroxylamine
CID 142095043
methyl-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)borinic acid
CID 149140996
7-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 91017574
2-methyl-5-nitro-1,3-dihydroinden-2-ol
CID 58734212
3-nitro-9,10-dihydrophenanthrene
CID 614448
methyl 2-[cyclopropyl-(3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)amino]acetate
CID 168876708
1,4-dinitrobenzene;nitrous acid
CID 174371180

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine (CID 23290963) is (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine is O=[N+]([O-])c1ccc2c(c1)C/C(=N\O)CC2.
What is the InChIKey of (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine?
The InChIKey is KAPVSBXLCMYUNK-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-11-9-3-1-7-2-4-10(12(14)15)6-8(7)5-9/h2,4,6,13H,1,3,5H2/b11-9-.
What are the key properties of (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine?
(NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine has a molecular weight of 206.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(7-nitro-3,4-dihydro-1H-naphthalen-2-ylidene)hydroxylamine is sourced from PubChem (CID 23290963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).