2-methyl-5-methylidene-1,3-diazepine

C7H8N2 — CID 126580929

IUPAC2-methyl-5-methylidene-1,3-diazepine
SMILESC=C1C=CN=C(C)N=C1
InChIInChI=1S/C7H8N2/c1-6-3-4-8-7(2)9-5-6/h3-5H,1H2,2H3
InChIKeyPVSVNHYJNVNHQJ-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.56
Rot. Bonds

About 2-methyl-5-methylidene-1,3-diazepine

2-methyl-5-methylidene-1,3-diazepine (PubChem CID 126580929) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-methyl-5-methylidene-1,3-diazepine.

Molecular Properties

Compound Name2-methyl-5-methylidene-1,3-diazepine
PubChem CID126580929
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-methyl-5-methylidene-1,3-diazepine
SMILESC=C1C=CN=C(C)N=C1
InChIInChI=1S/C7H8N2/c1-6-3-4-8-7(2)9-5-6/h3-5H,1H2,2H3
InChIKeyPVSVNHYJNVNHQJ-UHFFFAOYSA-N
XLogP1.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-2-enylideneprop-2-enimidamide
CID 89278504
2,5,5-Trimethyl-1,3-diazepine
CID 123614796
6-methyl-5H-1,3-diazepine
CID 123768170
2-methyl-5H-1,3-diazepine
CID 123843433
2,5-Dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 123929868
N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide
CID 130434344
6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine
CID 134482807
5-methyl-5H-1,3-diazepine
CID 137447391
N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide
CID 137496565
2,6-dimethyl-5H-1,3-diazepine
CID 138718213
N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 138725760
ethane;2-methyl-5H-1,3-diazepine
CID 141779059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-1,3-diazepine?
The IUPAC name of 2-methyl-5-methylidene-1,3-diazepine (CID 126580929) is 2-methyl-5-methylidene-1,3-diazepine.
What is the SMILES notation for 2-methyl-5-methylidene-1,3-diazepine?
The canonical SMILES for 2-methyl-5-methylidene-1,3-diazepine is C=C1C=CN=C(C)N=C1.
What is the InChIKey of 2-methyl-5-methylidene-1,3-diazepine?
The InChIKey is PVSVNHYJNVNHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-3-4-8-7(2)9-5-6/h3-5H,1H2,2H3.
What are the key properties of 2-methyl-5-methylidene-1,3-diazepine?
2-methyl-5-methylidene-1,3-diazepine has a molecular weight of 120.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-1,3-diazepine is sourced from PubChem (CID 126580929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).