(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine

C12H22N4O2 — CID 91001187

IUPAC(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
SMILESCC.CN(C)/C=C/c1ccccc1[N+](=O)[O-].NN
InChIInChI=1S/C10H12N2O2.C2H6.H4N2/c1-11(2)8-7-9-5-3-4-6-10(9)12(13)14;2*1-2/h3-8H,1-2H3;1-2H3;1-2H2/b8-7+;;
InChIKeyVYDVIAVBCPDFQL-MIIBGCIDSA-N
MW254.33 g/mol
LogP1.97
Rot. Bonds3

About (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine

(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine (PubChem CID 91001187) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
PubChem CID91001187
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
SMILESCC.CN(C)/C=C/c1ccccc1[N+](=O)[O-].NN
InChIInChI=1S/C10H12N2O2.C2H6.H4N2/c1-11(2)8-7-9-5-3-4-6-10(9)12(13)14;2*1-2/h3-8H,1-2H3;1-2H3;1-2H2/b8-7+;;
InChIKeyVYDVIAVBCPDFQL-MIIBGCIDSA-N
XLogP1.97
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 91029364
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(Z)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine
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1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110
(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
CID 87240394
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine?
The IUPAC name of (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine (CID 91001187) is (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine.
What is the SMILES notation for (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine?
The canonical SMILES for (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine is CC.CN(C)/C=C/c1ccccc1[N+](=O)[O-].NN.
What is the InChIKey of (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine?
The InChIKey is VYDVIAVBCPDFQL-MIIBGCIDSA-N. The full InChI is InChI=1S/C10H12N2O2.C2H6.H4N2/c1-11(2)8-7-9-5-3-4-6-10(9)12(13)14;2*1-2/h3-8H,1-2H3;1-2H3;1-2H2/b8-7+;;.
What are the key properties of (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine?
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine has a molecular weight of 254.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine is sourced from PubChem (CID 91001187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).