ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one

C17H27NO — CID 169153210

IUPACethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one
SMILESC=C/C=c1/c(=O)c(C)c2n(/c1=C/C)CC2.CC.CC
InChIInChI=1S/C13H15NO.2C2H6/c1-4-6-10-11(5-2)14-8-7-12(14)9(3)13(10)15;2*1-2/h4-6H,1,7-8H2,2-3H3;2*1-2H3/b10-6+,11-5+;;
InChIKeyYDCJEKSIQPIGSX-PJPNVXIVSA-N
MW261.41 g/mol
LogP2.53
Rot. Bonds1

About ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one

ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one (PubChem CID 169153210) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one.

Molecular Properties

Compound Nameethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one
PubChem CID169153210
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Nameethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one
SMILESC=C/C=c1/c(=O)c(C)c2n(/c1=C/C)CC2.CC.CC
InChIInChI=1S/C13H15NO.2C2H6/c1-4-6-10-11(5-2)14-8-7-12(14)9(3)13(10)15;2*1-2/h4-6H,1,7-8H2,2-3H3;2*1-2H3/b10-6+,11-5+;;
InChIKeyYDCJEKSIQPIGSX-PJPNVXIVSA-N
XLogP2.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one with MolForge

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Related Compounds

1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one
CID 142606835
6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one;ethane
CID 142863538
ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one
CID 142959923
(2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one
CID 143903543
ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
CID 169152773
CID 169152841
CID 169152841
Ethane;5-methyl-2,3-dimethylidene-1-azabicyclo[4.2.0]oct-5-en-4-one
CID 169152992
ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one
CID 169153001
(8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one
CID 169153039
CID 169153216
CID 169153216
ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
CID 169153429
2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one
CID 176685640

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one?
The IUPAC name of ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one (CID 169153210) is ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one.
What is the SMILES notation for ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one?
The canonical SMILES for ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one is C=C/C=c1/c(=O)c(C)c2n(/c1=C/C)CC2.CC.CC.
What is the InChIKey of ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one?
The InChIKey is YDCJEKSIQPIGSX-PJPNVXIVSA-N. The full InChI is InChI=1S/C13H15NO.2C2H6/c1-4-6-10-11(5-2)14-8-7-12(14)9(3)13(10)15;2*1-2/h4-6H,1,7-8H2,2-3H3;2*1-2H3/b10-6+,11-5+;;.
What are the key properties of ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one?
ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one has a molecular weight of 261.41 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one is sourced from PubChem (CID 169153210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).