tert-butyl 3-methyl-2H-azete-1-carboxylate

C9H15NO2 — CID 163575848

IUPACtert-butyl 3-methyl-2H-azete-1-carboxylate
SMILESCC1=CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C9H15NO2/c1-7-5-10(6-7)8(11)12-9(2,3)4/h5H,6H2,1-4H3
InChIKeyGDKBFWDVPJNVHO-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.14
Rot. Bonds

About tert-butyl 3-methyl-2H-azete-1-carboxylate

tert-butyl 3-methyl-2H-azete-1-carboxylate (PubChem CID 163575848) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is tert-butyl 3-methyl-2H-azete-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-2H-azete-1-carboxylate
PubChem CID163575848
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nametert-butyl 3-methyl-2H-azete-1-carboxylate
SMILESCC1=CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C9H15NO2/c1-7-5-10(6-7)8(11)12-9(2,3)4/h5H,6H2,1-4H3
InChIKeyGDKBFWDVPJNVHO-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2H-azete-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-2H-azete-1-carboxylate (CID 163575848) is tert-butyl 3-methyl-2H-azete-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-2H-azete-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-2H-azete-1-carboxylate is CC1=CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-methyl-2H-azete-1-carboxylate?
The InChIKey is GDKBFWDVPJNVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-5-10(6-7)8(11)12-9(2,3)4/h5H,6H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-2H-azete-1-carboxylate?
tert-butyl 3-methyl-2H-azete-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2H-azete-1-carboxylate is sourced from PubChem (CID 163575848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).