(5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine

C9H13NO — CID 142822916

IUPAC(5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine
SMILESC/C=C1\C=C/C=C\CNCO1
InChIInChI=1S/C9H13NO/c1-2-9-6-4-3-5-7-10-8-11-9/h2-6,10H,7-8H2,1H3/b5-3-,6-4-,9-2+
InChIKeyQAEZTOLLUFVNMX-ULEJAJENSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds

About (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine

(5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine (PubChem CID 142822916) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine.

Molecular Properties

Compound Name(5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine
PubChem CID142822916
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine
SMILESC/C=C1\C=C/C=C\CNCO1
InChIInChI=1S/C9H13NO/c1-2-9-6-4-3-5-7-10-8-11-9/h2-6,10H,7-8H2,1H3/b5-3-,6-4-,9-2+
InChIKeyQAEZTOLLUFVNMX-ULEJAJENSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine?
The IUPAC name of (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine (CID 142822916) is (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine.
What is the SMILES notation for (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine?
The canonical SMILES for (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine is C/C=C1\C=C/C=C\CNCO1.
What is the InChIKey of (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine?
The InChIKey is QAEZTOLLUFVNMX-ULEJAJENSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-9-6-4-3-5-7-10-8-11-9/h2-6,10H,7-8H2,1H3/b5-3-,6-4-,9-2+.
What are the key properties of (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine?
(5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine has a molecular weight of 151.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9E)-9-ethylidene-3,4-dihydro-2H-1,3-oxazonine is sourced from PubChem (CID 142822916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).