tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate

C19H35NO2 — CID 11266868

IUPACtert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC/C=C\CCCCCCCC1
InChIInChI=1S/C19H35NO2/c1-19(2,3)22-18(21)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20/h6,8H,4-5,7,9-17H2,1-3H3/b8-6-
InChIKeyOHMKROLYWGQESQ-VURMDHGXSA-N
MW309.49 g/mol
LogP5.69
Rot. Bonds

About tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate

tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate (PubChem CID 11266868) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate
PubChem CID11266868
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Nametert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC/C=C\CCCCCCCC1
InChIInChI=1S/C19H35NO2/c1-19(2,3)22-18(21)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20/h6,8H,4-5,7,9-17H2,1-3H3/b8-6-
InChIKeyOHMKROLYWGQESQ-VURMDHGXSA-N
XLogP5.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate?
The IUPAC name of tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate (CID 11266868) is tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate.
What is the SMILES notation for tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate?
The canonical SMILES for tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate is CC(C)(C)OC(=O)N1CCCC/C=C\CCCCCCCC1.
What is the InChIKey of tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate?
The InChIKey is OHMKROLYWGQESQ-VURMDHGXSA-N. The full InChI is InChI=1S/C19H35NO2/c1-19(2,3)22-18(21)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20/h6,8H,4-5,7,9-17H2,1-3H3/b8-6-.
What are the key properties of tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate?
tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate has a molecular weight of 309.49 g/mol, XLogP of 5.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate is sourced from PubChem (CID 11266868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).