(Z)-N,N-dibenzyl-2-nitroethenamine

C16H16N2O2 — CID 67458258

IUPAC(Z)-N,N-dibenzyl-2-nitroethenamine
SMILESO=[N+]([O-])/C=C\N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-18(20)12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11-
InChIKeyNIJHIEPMCROXBD-QXMHVHEDSA-N
MW268.32 g/mol
LogP3.44
Rot. Bonds6

About (Z)-N,N-dibenzyl-2-nitroethenamine

(Z)-N,N-dibenzyl-2-nitroethenamine (PubChem CID 67458258) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (Z)-N,N-dibenzyl-2-nitroethenamine.

Molecular Properties

Compound Name(Z)-N,N-dibenzyl-2-nitroethenamine
PubChem CID67458258
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(Z)-N,N-dibenzyl-2-nitroethenamine
SMILESO=[N+]([O-])/C=C\N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-18(20)12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11-
InChIKeyNIJHIEPMCROXBD-QXMHVHEDSA-N
XLogP3.44
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-N,N-dibenzyl-2-nitroethenamine?
The IUPAC name of (Z)-N,N-dibenzyl-2-nitroethenamine (CID 67458258) is (Z)-N,N-dibenzyl-2-nitroethenamine.
What is the SMILES notation for (Z)-N,N-dibenzyl-2-nitroethenamine?
The canonical SMILES for (Z)-N,N-dibenzyl-2-nitroethenamine is O=[N+]([O-])/C=C\N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (Z)-N,N-dibenzyl-2-nitroethenamine?
The InChIKey is NIJHIEPMCROXBD-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-18(20)12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11-.
What are the key properties of (Z)-N,N-dibenzyl-2-nitroethenamine?
(Z)-N,N-dibenzyl-2-nitroethenamine has a molecular weight of 268.32 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibenzyl-2-nitroethenamine is sourced from PubChem (CID 67458258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).