(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine

C9H10N2O3 — CID 172934456

IUPAC(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine
SMILESCC(/C(=N\O)c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-7(11(13)14)9(10-12)8-5-3-2-4-6-8/h2-7,12H,1H3/b10-9+
InChIKeyMTYJSNFYXMOROE-MDZDMXLPSA-N
MW194.19 g/mol
LogP1.53
Rot. Bonds3

About (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine

(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine (PubChem CID 172934456) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine
PubChem CID172934456
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine
SMILESCC(/C(=N\O)c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-7(11(13)14)9(10-12)8-5-3-2-4-6-8/h2-7,12H,1H3/b10-9+
InChIKeyMTYJSNFYXMOROE-MDZDMXLPSA-N
XLogP1.53
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.53
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

(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine
CID 174925218
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
[(Z)-1,2-dinitroprop-1-enyl]benzene
CID 142001614
1-hydroxyimino-4-methyl-1-phenylhexan-2-ol
CID 87881302
(2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one
CID 7158722
(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine
CID 21313717
(NE)-N-[2-ethylsulfonyl-1-(3-nitrophenyl)propylidene]hydroxylamine
CID 102550889
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
(3-methyl-1-nitrobut-1-en-2-yl)benzene
CID 67236691
(NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 10610605
sodium N-hydroxybenzenecarboximidate
CID 141386787

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine (CID 172934456) is (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine is CC(/C(=N\O)c1ccccc1)[N+](=O)[O-].
What is the InChIKey of (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine?
The InChIKey is MTYJSNFYXMOROE-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-7(11(13)14)9(10-12)8-5-3-2-4-6-8/h2-7,12H,1H3/b10-9+.
What are the key properties of (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine?
(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine has a molecular weight of 194.19 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine is sourced from PubChem (CID 172934456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).