5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide

C15H24N2O2 — CID 174678287

IUPAC5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide
SMILESCC(CCC(=O)N1CCCC2CCCC=C21)C(N)=O
InChIInChI=1S/C15H24N2O2/c1-11(15(16)19)8-9-14(18)17-10-4-6-12-5-2-3-7-13(12)17/h7,11-12H,2-6,8-10H2,1H3,(H2,16,19)
InChIKeyIWMCRIUPIJBVPN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds4

About 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide

5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide (PubChem CID 174678287) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide
PubChem CID174678287
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide
SMILESCC(CCC(=O)N1CCCC2CCCC=C21)C(N)=O
InChIInChI=1S/C15H24N2O2/c1-11(15(16)19)8-9-14(18)17-10-4-6-12-5-2-3-7-13(12)17/h7,11-12H,2-6,8-10H2,1H3,(H2,16,19)
InChIKeyIWMCRIUPIJBVPN-UHFFFAOYSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide?
The IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide (CID 174678287) is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide.
What is the SMILES notation for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide?
The canonical SMILES for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide is CC(CCC(=O)N1CCCC2CCCC=C21)C(N)=O.
What is the InChIKey of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide?
The InChIKey is IWMCRIUPIJBVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(15(16)19)8-9-14(18)17-10-4-6-12-5-2-3-7-13(12)17/h7,11-12H,2-6,8-10H2,1H3,(H2,16,19).
What are the key properties of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide?
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-methyl-5-oxopentanamide is sourced from PubChem (CID 174678287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).