(1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine

C10H12N2 — CID 144521035

IUPAC(1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine
SMILESC=C1/C=C\C=C/C/C(C)=N\N=C/1
InChIInChI=1S/C10H12N2/c1-9-6-4-3-5-7-10(2)12-11-8-9/h3-6,8H,1,7H2,2H3/b5-3-,6-4-,11-8-,12-10-
InChIKeyRGGIZIFSIXBXFU-CKIMRTOZSA-N
MW160.22 g/mol
LogP2.51
Rot. Bonds

About (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine

(1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine (PubChem CID 144521035) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine.

Molecular Properties

Compound Name(1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine
PubChem CID144521035
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine
SMILESC=C1/C=C\C=C/C/C(C)=N\N=C/1
InChIInChI=1S/C10H12N2/c1-9-6-4-3-5-7-10(2)12-11-8-9/h3-6,8H,1,7H2,2H3/b5-3-,6-4-,11-8-,12-10-
InChIKeyRGGIZIFSIXBXFU-CKIMRTOZSA-N
XLogP2.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine?
The IUPAC name of (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine (CID 144521035) is (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine.
What is the SMILES notation for (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine?
The canonical SMILES for (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine is C=C1/C=C\C=C/C/C(C)=N\N=C/1.
What is the InChIKey of (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine?
The InChIKey is RGGIZIFSIXBXFU-CKIMRTOZSA-N. The full InChI is InChI=1S/C10H12N2/c1-9-6-4-3-5-7-10(2)12-11-8-9/h3-6,8H,1,7H2,2H3/b5-3-,6-4-,11-8-,12-10-.
What are the key properties of (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine?
(1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine has a molecular weight of 160.22 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2Z,5Z,7Z)-3-methyl-9-methylidene-4H-diazecine is sourced from PubChem (CID 144521035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).