tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine

C15H23N3O2 — CID 174945879

IUPACtert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.CC(C)(C)OC(=O)N1C=CC=CC=N1
InChIInChI=1S/C10H14N2O2.C5H9N/c1-10(2,3)14-9(13)12-8-6-4-5-7-11-12;1-2-4-6-5-3-1/h4-8H,1-3H3;2,4,6H,1,3,5H2
InChIKeyCVFYJKNPZQGBBQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.18
Rot. Bonds

About tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine

tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine (PubChem CID 174945879) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Nametert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine
PubChem CID174945879
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.CC(C)(C)OC(=O)N1C=CC=CC=N1
InChIInChI=1S/C10H14N2O2.C5H9N/c1-10(2,3)14-9(13)12-8-6-4-5-7-11-12;1-2-4-6-5-3-1/h4-8H,1-3H3;2,4,6H,1,3,5H2
InChIKeyCVFYJKNPZQGBBQ-UHFFFAOYSA-N
XLogP3.18
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174980838
tert-butyl 2H-pyridine-1-carboxylate
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tert-butyl 2,5-dihydropyrrole-1-carboxylate;ethane
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tert-butyl pyrrolidine-1-carboxylate;1H-pyrazole
CID 164552923
tert-butyl 2-methylidene-3,4-dihydropyridine-1-carboxylate
CID 166448085
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl azacyclopentadecane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine?
The IUPAC name of tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine (CID 174945879) is tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine?
The canonical SMILES for tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine is C1=CNCCC1.CC(C)(C)OC(=O)N1C=CC=CC=N1.
What is the InChIKey of tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine?
The InChIKey is CVFYJKNPZQGBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C5H9N/c1-10(2,3)14-9(13)12-8-6-4-5-7-11-12;1-2-4-6-5-3-1/h4-8H,1-3H3;2,4,6H,1,3,5H2.
What are the key properties of tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine?
tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine has a molecular weight of 277.37 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl diazepine-1-carboxylate;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 174945879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).