5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one

C16H26N2O2 — CID 15559614

IUPAC5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one
SMILESCCCC(=O)C1C(=O)N2CCCCC2C2CCCNC12
InChIInChI=1S/C16H26N2O2/c1-2-6-13(19)14-15-11(7-5-9-17-15)12-8-3-4-10-18(12)16(14)20/h11-12,14-15,17H,2-10H2,1H3
InChIKeyRZWGLLGWRRVAKM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.73
Rot. Bonds3

About 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one

5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one (PubChem CID 15559614) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one.

Molecular Properties

Compound Name5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one
PubChem CID15559614
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one
SMILESCCCC(=O)C1C(=O)N2CCCCC2C2CCCNC12
InChIInChI=1S/C16H26N2O2/c1-2-6-13(19)14-15-11(7-5-9-17-15)12-8-3-4-10-18(12)16(14)20/h11-12,14-15,17H,2-10H2,1H3
InChIKeyRZWGLLGWRRVAKM-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one with MolForge

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Related Compounds

1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
ethyl (1R,2S,8aS)-1-amino-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylate
CID 25418924
4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one
CID 84741184
3-butanoylazepan-2-one
CID 18359756
1-cycloheptylbutan-1-one
CID 54353743
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
(3aR,3bS,8aR)-2,3,3a,3b,4,5,6,8a-octahydro-1H-pyrrolo[3,2-a]pyrrolizin-8-one
CID 99944912
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
CID 79553643
2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 55168953
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one
CID 106736089

Frequently Asked Questions

What is the IUPAC name of 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one?
The IUPAC name of 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one (CID 15559614) is 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one.
What is the SMILES notation for 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one?
The canonical SMILES for 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one is CCCC(=O)C1C(=O)N2CCCCC2C2CCCNC12.
What is the InChIKey of 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one?
The InChIKey is RZWGLLGWRRVAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-6-13(19)14-15-11(7-5-9-17-15)12-8-3-4-10-18(12)16(14)20/h11-12,14-15,17H,2-10H2,1H3.
What are the key properties of 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one?
5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoyl-1,2,3,4,4a,5,8,9,10,11,11a,11b-dodecahydropyrido[2,1-f][1,6]naphthyridin-6-one is sourced from PubChem (CID 15559614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).