1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one

C14H25NO — CID 51075788

IUPAC1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C14H25NO/c1-2-3-10-14(16)15-11-6-8-12-7-4-5-9-13(12)15/h12-13H,2-11H2,1H3
InChIKeyHRZFFGWACTTYAH-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.36
Rot. Bonds3

About 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one (PubChem CID 51075788) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one
PubChem CID51075788
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C14H25NO/c1-2-3-10-14(16)15-11-6-8-12-7-4-5-9-13(12)15/h12-13H,2-11H2,1H3
InChIKeyHRZFFGWACTTYAH-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one?
The IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one (CID 51075788) is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one?
The canonical SMILES for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one is CCCCC(=O)N1CCCC2CCCCC21.
What is the InChIKey of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one?
The InChIKey is HRZFFGWACTTYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-10-14(16)15-11-6-8-12-7-4-5-9-13(12)15/h12-13H,2-11H2,1H3.
What are the key properties of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one?
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one is sourced from PubChem (CID 51075788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).