1-methyl-7-methylidene-4H-1,3-diazepine

C7H10N2 — CID 90931837

IUPAC1-methyl-7-methylidene-4H-1,3-diazepine
SMILESC=C1C=CCN=CN1C
InChIInChI=1S/C7H10N2/c1-7-4-3-5-8-6-9(7)2/h3-4,6H,1,5H2,2H3
InChIKeyOFBSSWHBLHHMDS-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.03
Rot. Bonds

About 1-methyl-7-methylidene-4H-1,3-diazepine

1-methyl-7-methylidene-4H-1,3-diazepine (PubChem CID 90931837) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-methyl-7-methylidene-4H-1,3-diazepine.

Molecular Properties

Compound Name1-methyl-7-methylidene-4H-1,3-diazepine
PubChem CID90931837
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-methyl-7-methylidene-4H-1,3-diazepine
SMILESC=C1C=CCN=CN1C
InChIInChI=1S/C7H10N2/c1-7-4-3-5-8-6-9(7)2/h3-4,6H,1,5H2,2H3
InChIKeyOFBSSWHBLHHMDS-UHFFFAOYSA-N
XLogP1.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57831095
Pyrimido[1,6-a]azepine
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3,6-dimethyl-4H-pyrimidine
CID 53983488
1-Methyl-4-methylidenepyrimidine
CID 57672168
1-Ethyl-4-methylidenepyrimidine
CID 57672220
(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonine
CID 68215782
N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 89288883
dimethyl(2H-pyridin-1-ylmethylidene)azanium
CID 90694780
1,6-dimethyl-4H-pyrimidine
CID 91074281
Pyrido[1,2-c][1,3]diazepine
CID 117656110
6-methylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 117913361
N-[(Z)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide
CID 118900909

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylidene-4H-1,3-diazepine?
The IUPAC name of 1-methyl-7-methylidene-4H-1,3-diazepine (CID 90931837) is 1-methyl-7-methylidene-4H-1,3-diazepine.
What is the SMILES notation for 1-methyl-7-methylidene-4H-1,3-diazepine?
The canonical SMILES for 1-methyl-7-methylidene-4H-1,3-diazepine is C=C1C=CCN=CN1C.
What is the InChIKey of 1-methyl-7-methylidene-4H-1,3-diazepine?
The InChIKey is OFBSSWHBLHHMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7-4-3-5-8-6-9(7)2/h3-4,6H,1,5H2,2H3.
What are the key properties of 1-methyl-7-methylidene-4H-1,3-diazepine?
1-methyl-7-methylidene-4H-1,3-diazepine has a molecular weight of 122.17 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylidene-4H-1,3-diazepine is sourced from PubChem (CID 90931837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).