2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one

C19H23NO — CID 10401479

IUPAC2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one
SMILESCC/C=C\CCC1CCc2cc(=O)c3ccccc3n2C1
InChIInChI=1S/C19H23NO/c1-2-3-4-5-8-15-11-12-16-13-19(21)17-9-6-7-10-18(17)20(16)14-15/h3-4,6-7,9-10,13,15H,2,5,8,11-12,14H2,1H3/b4-3-
InChIKeyRMFXHXDHNPFBOH-ARJAWSKDSA-N
MW281.40 g/mol
LogP4.31
Rot. Bonds4

About 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one

2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one (PubChem CID 10401479) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one.

Molecular Properties

Compound Name2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one
PubChem CID10401479
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one
SMILESCC/C=C\CCC1CCc2cc(=O)c3ccccc3n2C1
InChIInChI=1S/C19H23NO/c1-2-3-4-5-8-15-11-12-16-13-19(21)17-9-6-7-10-18(17)20(16)14-15/h3-4,6-7,9-10,13,15H,2,5,8,11-12,14H2,1H3/b4-3-
InChIKeyRMFXHXDHNPFBOH-ARJAWSKDSA-N
XLogP4.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one?
The IUPAC name of 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one (CID 10401479) is 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one.
What is the SMILES notation for 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one?
The canonical SMILES for 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one is CC/C=C\CCC1CCc2cc(=O)c3ccccc3n2C1.
What is the InChIKey of 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one?
The InChIKey is RMFXHXDHNPFBOH-ARJAWSKDSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-3-4-5-8-15-11-12-16-13-19(21)17-9-6-7-10-18(17)20(16)14-15/h3-4,6-7,9-10,13,15H,2,5,8,11-12,14H2,1H3/b4-3-.
What are the key properties of 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one?
2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one has a molecular weight of 281.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hex-3-enyl]-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one is sourced from PubChem (CID 10401479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).