4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one

C19H24N2O2 — CID 131947006

IUPAC4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(NCc2ccccc2-c2ccc(C)o2)CC1=O
InChIInChI=1S/C19H24N2O2/c1-3-10-21-13-16(11-19(21)22)20-12-15-6-4-5-7-17(15)18-9-8-14(2)23-18/h4-9,16,20H,3,10-13H2,1-2H3
InChIKeyYGGYRCMTKYJJFH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.36
Rot. Bonds6

About 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one

4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one (PubChem CID 131947006) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one
PubChem CID131947006
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(NCc2ccccc2-c2ccc(C)o2)CC1=O
InChIInChI=1S/C19H24N2O2/c1-3-10-21-13-16(11-19(21)22)20-12-15-6-4-5-7-17(15)18-9-8-14(2)23-18/h4-9,16,20H,3,10-13H2,1-2H3
InChIKeyYGGYRCMTKYJJFH-UHFFFAOYSA-N
XLogP3.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one (CID 131947006) is 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one is CCCN1CC(NCc2ccccc2-c2ccc(C)o2)CC1=O.
What is the InChIKey of 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one?
The InChIKey is YGGYRCMTKYJJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-10-21-13-16(11-19(21)22)20-12-15-6-4-5-7-17(15)18-9-8-14(2)23-18/h4-9,16,20H,3,10-13H2,1-2H3.
What are the key properties of 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one?
4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one has a molecular weight of 312.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 131947006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).