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

C17H25NO — CID 169152773

IUPACethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
SMILESC/C=C\C1=c2/c(=C\C)c(=O)c(C)cn2CCC1.CC
InChIInChI=1S/C15H19NO.C2H6/c1-4-7-12-8-6-9-16-10-11(3)15(17)13(5-2)14(12)16;1-2/h4-5,7,10H,6,8-9H2,1-3H3;1-2H3/b7-4-,13-5+;
InChIKeyBNVVNXFLZIORPG-FYKKGOKRSA-N
MW259.39 g/mol
LogP2.50
Rot. Bonds1

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

ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one (PubChem CID 169152773) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one.

Molecular Properties

Compound Nameethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
PubChem CID169152773
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Nameethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
SMILESC/C=C\C1=c2/c(=C\C)c(=O)c(C)cn2CCC1.CC
InChIInChI=1S/C15H19NO.C2H6/c1-4-7-12-8-6-9-16-10-11(3)15(17)13(5-2)14(12)16;1-2/h4-5,7,10H,6,8-9H2,1-3H3;1-2H3/b7-4-,13-5+;
InChIKeyBNVVNXFLZIORPG-FYKKGOKRSA-N
XLogP2.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
The IUPAC name of ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one (CID 169152773) is ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one.
What is the SMILES notation for ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
The canonical SMILES for ethane;(1E)-1-ethylidene-3-methyl-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)cn2CCC1.CC.
What is the InChIKey of ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
The InChIKey is BNVVNXFLZIORPG-FYKKGOKRSA-N. The full InChI is InChI=1S/C15H19NO.C2H6/c1-4-7-12-8-6-9-16-10-11(3)15(17)13(5-2)14(12)16;1-2/h4-5,7,10H,6,8-9H2,1-3H3;1-2H3/b7-4-,13-5+;.
What are the key properties of ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one has a molecular weight of 259.39 g/mol, XLogP of 2.50, 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-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one is sourced from PubChem (CID 169152773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).