(E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine

C11H12N4O2 — CID 22165970

IUPAC(E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine
SMILESCN(C)/C=C/c1ccc([N+](=O)[O-])c2[nH]ncc12
InChIInChI=1S/C11H12N4O2/c1-14(2)6-5-8-3-4-10(15(16)17)11-9(8)7-12-13-11/h3-7H,1-2H3,(H,12,13)/b6-5+
InChIKeyMZCMXIMDEXSRMO-AATRIKPKSA-N
MW232.24 g/mol
LogP2.00
Rot. Bonds3

About (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine

(E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine (PubChem CID 22165970) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine
PubChem CID22165970
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine
SMILESCN(C)/C=C/c1ccc([N+](=O)[O-])c2[nH]ncc12
InChIInChI=1S/C11H12N4O2/c1-14(2)6-5-8-3-4-10(15(16)17)11-9(8)7-12-13-11/h3-7H,1-2H3,(H,12,13)/b6-5+
InChIKeyMZCMXIMDEXSRMO-AATRIKPKSA-N
XLogP2.00
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine?
The IUPAC name of (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine (CID 22165970) is (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine.
What is the SMILES notation for (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine?
The canonical SMILES for (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine is CN(C)/C=C/c1ccc([N+](=O)[O-])c2[nH]ncc12.
What is the InChIKey of (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine?
The InChIKey is MZCMXIMDEXSRMO-AATRIKPKSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-14(2)6-5-8-3-4-10(15(16)17)11-9(8)7-12-13-11/h3-7H,1-2H3,(H,12,13)/b6-5+.
What are the key properties of (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine?
(E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine has a molecular weight of 232.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine is sourced from PubChem (CID 22165970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).