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

C15H19NO — CID 169152774

IUPAC(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
InChIInChI=1S/C15H19NO/c1-4-7-12-8-6-9-16-10-11(3)15(17)13(5-2)14(12)16/h4-5,7,10H,6,8-9H2,1-3H3/b7-4-,13-5+
InChIKeyNRIUIVVVZXYIOI-ORBVMKRGSA-N
MW229.32 g/mol
LogP1.48
Rot. Bonds1

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

(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one (PubChem CID 169152774) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one.

Molecular Properties

Compound Name(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
PubChem CID169152774
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(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
InChIInChI=1S/C15H19NO/c1-4-7-12-8-6-9-16-10-11(3)15(17)13(5-2)14(12)16/h4-5,7,10H,6,8-9H2,1-3H3/b7-4-,13-5+
InChIKeyNRIUIVVVZXYIOI-ORBVMKRGSA-N
XLogP1.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
The IUPAC name of (1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one (CID 169152774) is (1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one.
What is the SMILES notation for (1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
The canonical SMILES for (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.
What is the InChIKey of (1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
The InChIKey is NRIUIVVVZXYIOI-ORBVMKRGSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-7-12-8-6-9-16-10-11(3)15(17)13(5-2)14(12)16/h4-5,7,10H,6,8-9H2,1-3H3/b7-4-,13-5+.
What are the key properties of (1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one?
(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one has a molecular weight of 229.32 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one is sourced from PubChem (CID 169152774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).