1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one

C14H18N2O2 — CID 113372229

IUPAC1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one
SMILESCCCNCc1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C14H18N2O2/c1-2-8-15-10-12-6-7-13(18-12)11-16-9-4-3-5-14(16)17/h3-7,9,15H,2,8,10-11H2,1H3
InChIKeyDZKOKJZXGXZWRN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.99
Rot. Bonds6

About 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one

1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one (PubChem CID 113372229) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one
PubChem CID113372229
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one
SMILESCCCNCc1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C14H18N2O2/c1-2-8-15-10-12-6-7-13(18-12)11-16-9-4-3-5-14(16)17/h3-7,9,15H,2,8,10-11H2,1H3
InChIKeyDZKOKJZXGXZWRN-UHFFFAOYSA-N
XLogP1.99
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one (CID 113372229) is 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one is CCCNCc1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one?
The InChIKey is DZKOKJZXGXZWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-8-15-10-12-6-7-13(18-12)11-16-9-4-3-5-14(16)17/h3-7,9,15H,2,8,10-11H2,1H3.
What are the key properties of 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one?
1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 113372229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).