7-methylidene-1,6-dihydro-1,4-diazepine

C6H8N2 — CID 59437909

IUPAC7-methylidene-1,6-dihydro-1,4-diazepine
SMILESC=C1CC=NC=CN1
InChIInChI=1S/C6H8N2/c1-6-2-3-7-4-5-8-6/h3-5,8H,1-2H2
InChIKeyCSDZGBJNRHDDQA-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.04
Rot. Bonds

About 7-methylidene-1,6-dihydro-1,4-diazepine

7-methylidene-1,6-dihydro-1,4-diazepine (PubChem CID 59437909) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 7-methylidene-1,6-dihydro-1,4-diazepine.

Molecular Properties

Compound Name7-methylidene-1,6-dihydro-1,4-diazepine
PubChem CID59437909
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name7-methylidene-1,6-dihydro-1,4-diazepine
SMILESC=C1CC=NC=CN1
InChIInChI=1S/C6H8N2/c1-6-2-3-7-4-5-8-6/h3-5,8H,1-2H2
InChIKeyCSDZGBJNRHDDQA-UHFFFAOYSA-N
XLogP1.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydro-1,5-diazepine
CID 58044748
2,5-Diethyl-1,2-dihydropyrazine
CID 23385894
2-methyl-6,7-dihydro-1H-1,4-diazepine
CID 68099668
3-methyl-6,7-dihydro-1H-1,4-diazepine
CID 68099669
N-methyl-3,4-dihydropyridin-5-amine
CID 89101512
(Z)-1-(butylideneamino)-N-methylbut-1-en-2-amine
CID 90063462
5-Ethyl-1,2-dihydropyrazine
CID 117705473
6-Ethyl-1,2-dihydropyrazine
CID 118890428
N-methyl-4-methyliminobut-1-en-2-amine
CID 118973858
(E)-2-(ethylideneamino)-N-methylbut-1-en-1-amine
CID 123208571
(Z)-1-(ethylideneamino)-N-methylbut-1-en-2-amine
CID 141779642
6-Ethyl-2-methyl-1,2-dihydropyrazine
CID 142002483

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-1,6-dihydro-1,4-diazepine?
The IUPAC name of 7-methylidene-1,6-dihydro-1,4-diazepine (CID 59437909) is 7-methylidene-1,6-dihydro-1,4-diazepine.
What is the SMILES notation for 7-methylidene-1,6-dihydro-1,4-diazepine?
The canonical SMILES for 7-methylidene-1,6-dihydro-1,4-diazepine is C=C1CC=NC=CN1.
What is the InChIKey of 7-methylidene-1,6-dihydro-1,4-diazepine?
The InChIKey is CSDZGBJNRHDDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-6-2-3-7-4-5-8-6/h3-5,8H,1-2H2.
What are the key properties of 7-methylidene-1,6-dihydro-1,4-diazepine?
7-methylidene-1,6-dihydro-1,4-diazepine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-1,6-dihydro-1,4-diazepine is sourced from PubChem (CID 59437909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).