ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one

C18H27NO — CID 169153429

IUPACethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
SMILESC/C=C\C1=c2/c(=C\C)c(=O)c(C)cn2C(C)CC1.CC
InChIInChI=1S/C16H21NO.C2H6/c1-5-7-13-9-8-12(4)17-10-11(3)16(18)14(6-2)15(13)17;1-2/h5-7,10,12H,8-9H2,1-4H3;1-2H3/b7-5-,14-6+;
InChIKeyXIXBUMLOTBUAQQ-KXQLTQSISA-N
MW273.42 g/mol
LogP3.06
Rot. Bonds1

About ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one

ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one (PubChem CID 169153429) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one.

Molecular Properties

Compound Nameethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
PubChem CID169153429
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Nameethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
SMILESC/C=C\C1=c2/c(=C\C)c(=O)c(C)cn2C(C)CC1.CC
InChIInChI=1S/C16H21NO.C2H6/c1-5-7-13-9-8-12(4)17-10-11(3)16(18)14(6-2)15(13)17;1-2/h5-7,10,12H,8-9H2,1-4H3;1-2H3/b7-5-,14-6+;
InChIKeyXIXBUMLOTBUAQQ-KXQLTQSISA-N
XLogP3.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
The IUPAC name of ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one (CID 169153429) is ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one.
What is the SMILES notation for ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
The canonical SMILES for ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one is C/C=C\C1=c2/c(=C\C)c(=O)c(C)cn2C(C)CC1.CC.
What is the InChIKey of ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
The InChIKey is XIXBUMLOTBUAQQ-KXQLTQSISA-N. The full InChI is InChI=1S/C16H21NO.C2H6/c1-5-7-13-9-8-12(4)17-10-11(3)16(18)14(6-2)15(13)17;1-2/h5-7,10,12H,8-9H2,1-4H3;1-2H3/b7-5-,14-6+;.
What are the key properties of ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one has a molecular weight of 273.42 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one is sourced from PubChem (CID 169153429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).