4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine

C10H15N — CID 123525197

IUPAC4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine
SMILESC=C1CCCC2C=CCCN12
InChIInChI=1S/C10H15N/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2,6,10H,1,3-5,7-8H2
InChIKeyLOXXMKVDJNRGAJ-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.31
Rot. Bonds

About 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine

4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine (PubChem CID 123525197) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine.

Molecular Properties

Compound Name4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine
PubChem CID123525197
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine
SMILESC=C1CCCC2C=CCCN12
InChIInChI=1S/C10H15N/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2,6,10H,1,3-5,7-8H2
InChIKeyLOXXMKVDJNRGAJ-UHFFFAOYSA-N
XLogP2.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-(1-cyclohexen-1-yl)-
CID 18118
9(10)-Dehydroquinolizidine
CID 192825
1-(Cyclohex-2-en-1-yl)piperidine
CID 258780
Divinylpiperidine
CID 22465139
Tetrahydro 2h quinolizin
CID 67020367
1,3,4,6,9,9a-Hexahydro-2H-quinolizine
CID 557967
1,3,4,6,7,9a-Hexahydro-2H-quinolizine
CID 585979
3,5,6,7,8,8a-Hexahydroindolizine
CID 13308887
1-[(1E)-cyclodecen-1-yl]piperidine
CID 134891824
2-[(Z)-prop-1-enyl]-1-propylpiperidine
CID 134901773
2-[(Z)-but-1-enyl]-1-propylpiperidine
CID 134901816
Methyl pinidine
CID 5372416

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine?
The IUPAC name of 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine (CID 123525197) is 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine.
What is the SMILES notation for 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine?
The canonical SMILES for 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine is C=C1CCCC2C=CCCN12.
What is the InChIKey of 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine?
The InChIKey is LOXXMKVDJNRGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2,6,10H,1,3-5,7-8H2.
What are the key properties of 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine?
4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine has a molecular weight of 149.24 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,2,3,6,7,9a-hexahydroquinolizine is sourced from PubChem (CID 123525197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).