5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one

C14H16N2O — CID 139602622

IUPAC5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one
SMILESCCC=CCn1c(=O)ccc2c(C)ccnc21
InChIInChI=1S/C14H16N2O/c1-3-4-5-10-16-13(17)7-6-12-11(2)8-9-15-14(12)16/h4-9H,3,10H2,1-2H3
InChIKeyXXJBFMGPMRNUML-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.67
Rot. Bonds3

About 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one

5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one (PubChem CID 139602622) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one
PubChem CID139602622
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one
SMILESCCC=CCn1c(=O)ccc2c(C)ccnc21
InChIInChI=1S/C14H16N2O/c1-3-4-5-10-16-13(17)7-6-12-11(2)8-9-15-14(12)16/h4-9H,3,10H2,1-2H3
InChIKeyXXJBFMGPMRNUML-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-methyl-1-propylpyrrolo[2,3-b]pyridine
CID 145149544
1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one
CID 139602635
6-[(E)-but-1-enyl]-4-methylquinoline
CID 176872163
ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine
CID 162761081
3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504394
3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 82742656
ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 172576281
7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288273
3-(2,2-dimethylpropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288212
7-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288491
1-ethyl-6-methylpyrimidin-2-one
CID 77491063
1-(1-ethyl-6-methylisoquinolin-5-yl)-1,3-diazinane-2,4-dione
CID 176559817

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one?
The IUPAC name of 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one (CID 139602622) is 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one?
The canonical SMILES for 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one is CCC=CCn1c(=O)ccc2c(C)ccnc21.
What is the InChIKey of 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one?
The InChIKey is XXJBFMGPMRNUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-4-5-10-16-13(17)7-6-12-11(2)8-9-15-14(12)16/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one?
5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one has a molecular weight of 228.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pent-2-enyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 139602622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).