(7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione

C14H21NO2 — CID 155929154

IUPAC(7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione
SMILESCC1CC(=O)/C2=C/CCCN(CCC2)C(=O)C1
InChIInChI=1S/C14H21NO2/c1-11-9-13(16)12-5-2-3-7-15(8-4-6-12)14(17)10-11/h5,11H,2-4,6-10H2,1H3/b12-5+
InChIKeyDWNQKFUPFSRTAC-LFYBBSHMSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds

About (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione

(7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione (PubChem CID 155929154) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione.

Molecular Properties

Compound Name(7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione
PubChem CID155929154
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione
SMILESCC1CC(=O)/C2=C/CCCN(CCC2)C(=O)C1
InChIInChI=1S/C14H21NO2/c1-11-9-13(16)12-5-2-3-7-15(8-4-6-12)14(17)10-11/h5,11H,2-4,6-10H2,1H3/b12-5+
InChIKeyDWNQKFUPFSRTAC-LFYBBSHMSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione?
The IUPAC name of (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione (CID 155929154) is (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione.
What is the SMILES notation for (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione?
The canonical SMILES for (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione is CC1CC(=O)/C2=C/CCCN(CCC2)C(=O)C1.
What is the InChIKey of (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione?
The InChIKey is DWNQKFUPFSRTAC-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-9-13(16)12-5-2-3-7-15(8-4-6-12)14(17)10-11/h5,11H,2-4,6-10H2,1H3/b12-5+.
What are the key properties of (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione?
(7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione has a molecular weight of 235.33 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-4-methyl-1-azabicyclo[5.4.3]tetradec-7-ene-2,6-dione is sourced from PubChem (CID 155929154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).