2-ethoxy-7-methyl-1H-1,3-diazepine

C8H12N2O — CID 10487045

IUPAC2-ethoxy-7-methyl-1H-1,3-diazepine
SMILESCCOC1=NC=CC=C(C)N1
InChIInChI=1S/C8H12N2O/c1-3-11-8-9-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyFFGUIADTLVOHHR-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.40
Rot. Bonds1

About 2-ethoxy-7-methyl-1H-1,3-diazepine

2-ethoxy-7-methyl-1H-1,3-diazepine (PubChem CID 10487045) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethoxy-7-methyl-1H-1,3-diazepine.

Molecular Properties

Compound Name2-ethoxy-7-methyl-1H-1,3-diazepine
PubChem CID10487045
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethoxy-7-methyl-1H-1,3-diazepine
SMILESCCOC1=NC=CC=C(C)N1
InChIInChI=1S/C8H12N2O/c1-3-11-8-9-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyFFGUIADTLVOHHR-UHFFFAOYSA-N
XLogP1.40
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-methyl-1H-1,3-diazepine?
The IUPAC name of 2-ethoxy-7-methyl-1H-1,3-diazepine (CID 10487045) is 2-ethoxy-7-methyl-1H-1,3-diazepine.
What is the SMILES notation for 2-ethoxy-7-methyl-1H-1,3-diazepine?
The canonical SMILES for 2-ethoxy-7-methyl-1H-1,3-diazepine is CCOC1=NC=CC=C(C)N1.
What is the InChIKey of 2-ethoxy-7-methyl-1H-1,3-diazepine?
The InChIKey is FFGUIADTLVOHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-11-8-9-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-ethoxy-7-methyl-1H-1,3-diazepine?
2-ethoxy-7-methyl-1H-1,3-diazepine has a molecular weight of 152.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-methyl-1H-1,3-diazepine is sourced from PubChem (CID 10487045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).