(5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane

C12H20N2 — CID 143250320

IUPAC(5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane
SMILESC=C1/C=C\C=C/C/N=C(/C)N1C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-9-7-5-4-6-8-11-10(2)12(9)3;1-2/h4-7H,1,8H2,2-3H3;1-2H3/b6-4-,7-5-,11-10-;
InChIKeyBDOHNUNRHXYBEM-VDMYMBRFSA-N
MW192.31 g/mol
LogP3.00
Rot. Bonds

About (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane

(5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane (PubChem CID 143250320) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane.

Molecular Properties

Compound Name(5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane
PubChem CID143250320
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane
SMILESC=C1/C=C\C=C/C/N=C(/C)N1C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-9-7-5-4-6-8-11-10(2)12(9)3;1-2/h4-7H,1,8H2,2-3H3;1-2H3/b6-4-,7-5-,11-10-;
InChIKeyBDOHNUNRHXYBEM-VDMYMBRFSA-N
XLogP3.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68215782

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane?
The IUPAC name of (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane (CID 143250320) is (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane.
What is the SMILES notation for (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane?
The canonical SMILES for (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane is C=C1/C=C\C=C/C/N=C(/C)N1C.CC.
What is the InChIKey of (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane?
The InChIKey is BDOHNUNRHXYBEM-VDMYMBRFSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-9-7-5-4-6-8-11-10(2)12(9)3;1-2/h4-7H,1,8H2,2-3H3;1-2H3/b6-4-,7-5-,11-10-;.
What are the key properties of (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane?
(5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane has a molecular weight of 192.31 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane is sourced from PubChem (CID 143250320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).