1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one

C16H25NO — CID 22282138

IUPAC1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2C(C)CC3CCCCC3N2C(C)CC1=O
InChIInChI=1S/C16H25NO/c1-10-8-13-6-4-5-7-14(13)17-11(2)9-15(18)12(3)16(10)17/h10-11,13-14H,4-9H2,1-3H3
InChIKeyPWNVPCHYMWUKKL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.52
Rot. Bonds

About 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one

1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (PubChem CID 22282138) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
PubChem CID22282138
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2C(C)CC3CCCCC3N2C(C)CC1=O
InChIInChI=1S/C16H25NO/c1-10-8-13-6-4-5-7-14(13)17-11(2)9-15(18)12(3)16(10)17/h10-11,13-14H,4-9H2,1-3H3
InChIKeyPWNVPCHYMWUKKL-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (CID 22282138) is 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is CC1=C2C(C)CC3CCCCC3N2C(C)CC1=O.
What is the InChIKey of 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The InChIKey is PWNVPCHYMWUKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-8-13-6-4-5-7-14(13)17-11(2)9-15(18)12(3)16(10)17/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one has a molecular weight of 247.38 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 22282138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).