(NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine

C11H11N3O3 — CID 6872352

IUPAC(NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine
SMILESCc1c(/C=N/O)c2cc([N+](=O)[O-])ccc2n1C
InChIInChI=1S/C11H11N3O3/c1-7-10(6-12-15)9-5-8(14(16)17)3-4-11(9)13(7)2/h3-6,15H,1-2H3/b12-6+
InChIKeyPIDLWOXIAYMDKE-WUXMJOGZSA-N
MW233.23 g/mol
LogP2.20
Rot. Bonds2

About (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine

(NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine (PubChem CID 6872352) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine
PubChem CID6872352
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine
SMILESCc1c(/C=N/O)c2cc([N+](=O)[O-])ccc2n1C
InChIInChI=1S/C11H11N3O3/c1-7-10(6-12-15)9-5-8(14(16)17)3-4-11(9)13(7)2/h3-6,15H,1-2H3/b12-6+
InChIKeyPIDLWOXIAYMDKE-WUXMJOGZSA-N
XLogP2.20
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.20
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

N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-nitrobenzamide
CID 2016237
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-3-nitrobenzamide
CID 110506789
9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399
methyl 3-formyl-1-methyl-5-nitroindole-2-carboxylate
CID 154721985
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
1,2-dimethyl-6-nitroindole-3-carboxylic acid
CID 105493943
4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
CID 135385757
2-(3,6-dinitrocarbazol-9-yl)propanoic acid
CID 54237838
(9-methyl-6-nitrocarbazol-3-yl)-(2-methylphenyl)methanimine
CID 90305167
ethyl 3-chloro-1-methyl-5-nitroindole-2-carboxylate
CID 69142291
9-methoxy-3,6-dinitrocarbazole
CID 155908521
5-methoxy-1,2-dimethyl-3-(2-nitroethenyl)indole
CID 77469691

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine (CID 6872352) is (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine is Cc1c(/C=N/O)c2cc([N+](=O)[O-])ccc2n1C.
What is the InChIKey of (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine?
The InChIKey is PIDLWOXIAYMDKE-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-10(6-12-15)9-5-8(14(16)17)3-4-11(9)13(7)2/h3-6,15H,1-2H3/b12-6+.
What are the key properties of (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine?
(NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine has a molecular weight of 233.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6872352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).