(6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane

C10H15NO — CID 145470372

IUPAC(6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane
SMILESC=C/C=C1/OCCNC/C1=C/C
InChIInChI=1S/C10H15NO/c1-3-5-10-9(4-2)8-11-6-7-12-10/h3-5,11H,1,6-8H2,2H3/b9-4-,10-5+
InChIKeyJFCAUIZKDMMNEB-DHPVUTNOSA-N
MW165.24 g/mol
LogP1.62
Rot. Bonds1

About (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane

(6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane (PubChem CID 145470372) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane.

Molecular Properties

Compound Name(6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane
PubChem CID145470372
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane
SMILESC=C/C=C1/OCCNC/C1=C/C
InChIInChI=1S/C10H15NO/c1-3-5-10-9(4-2)8-11-6-7-12-10/h3-5,11H,1,6-8H2,2H3/b9-4-,10-5+
InChIKeyJFCAUIZKDMMNEB-DHPVUTNOSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane?
The IUPAC name of (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane (CID 145470372) is (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane.
What is the SMILES notation for (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane?
The canonical SMILES for (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane is C=C/C=C1/OCCNC/C1=C/C.
What is the InChIKey of (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane?
The InChIKey is JFCAUIZKDMMNEB-DHPVUTNOSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-10-9(4-2)8-11-6-7-12-10/h3-5,11H,1,6-8H2,2H3/b9-4-,10-5+.
What are the key properties of (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane?
(6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane has a molecular weight of 165.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,7E)-6-ethylidene-7-prop-2-enylidene-1,4-oxazepane is sourced from PubChem (CID 145470372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).