1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one

C16H24N2O2 — CID 60935255

IUPAC1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H24N2O2/c1-11-8-14(11)15-6-5-13(20-15)9-17-12(2)10-18-7-3-4-16(18)19/h5-6,11-12,14,17H,3-4,7-10H2,1-2H3
InChIKeyWAPYYKHSSYCHPV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one

1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 60935255) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one
PubChem CID60935255
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H24N2O2/c1-11-8-14(11)15-6-5-13(20-15)9-17-12(2)10-18-7-3-4-16(18)19/h5-6,11-12,14,17H,3-4,7-10H2,1-2H3
InChIKeyWAPYYKHSSYCHPV-UHFFFAOYSA-N
XLogP2.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one (CID 60935255) is 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCc1ccc(C2CC2C)o1.
What is the InChIKey of 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is WAPYYKHSSYCHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-8-14(11)15-6-5-13(20-15)9-17-12(2)10-18-7-3-4-16(18)19/h5-6,11-12,14,17H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one?
1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60935255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).