1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one

C12H17NO3 — CID 162402967

IUPAC1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
SMILESCC1=CC(CCCN2CCCC2=O)OC1=O
InChIInChI=1S/C12H17NO3/c1-9-8-10(16-12(9)15)4-2-6-13-7-3-5-11(13)14/h8,10H,2-7H2,1H3
InChIKeyMGYFWUQUEIYETO-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.26
Rot. Bonds4

About 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one

1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one (PubChem CID 162402967) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
PubChem CID162402967
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
SMILESCC1=CC(CCCN2CCCC2=O)OC1=O
InChIInChI=1S/C12H17NO3/c1-9-8-10(16-12(9)15)4-2-6-13-7-3-5-11(13)14/h8,10H,2-7H2,1H3
InChIKeyMGYFWUQUEIYETO-UHFFFAOYSA-N
XLogP1.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pandamarilactam 3x
CID 100951965
methyl (E)-7-(2-ethoxy-5-oxopyrrolidin-1-yl)hept-2-enoate
CID 68652455
methyl (E)-6-(2-ethoxy-5-oxopyrrolidin-1-yl)hex-2-enoate
CID 68652665
5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
CID 72750965
1-[4-(4-Methyl-5-oxofuran-2(5H)-ylidene)butyl]pyrrolidin-2-one
CID 71348169
ethyl (2E,6E,10E)-3,7,11-trimethyl-12-oxo-12-pyrrolidin-1-yldodeca-2,6,10-trienoate
CID 15069758
ethyl (2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethyl-20-oxo-20-pyrrolidin-1-ylicosa-2,6,10,14,18-pentaenoate
CID 15069771
N-(19-ethoxycarbonyl-2,6,10,14,18-pentamethyl-2,6,10,14,18-nonadecapentaenoyl)-pyrrolidine
CID 54409013
N-(11-ethoxycarbonyl-2,6,10-trimethyl-2,6,10-undecatrienoyl)pyrrolidine
CID 54430439
Methyl 7-(2-ethoxy-5-oxopyrrolidin-1-yl)hept-2-enoate
CID 68652459
Methyl 6-(2-ethoxy-5-oxopyrrolidin-1-yl)hex-2-enoate
CID 68652666
methyl (E)-2-methyl-3-(2-oxo-1-propylpyrrolidin-3-yl)prop-2-enoate
CID 140050619

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one (CID 162402967) is 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one is CC1=CC(CCCN2CCCC2=O)OC1=O.
What is the InChIKey of 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one?
The InChIKey is MGYFWUQUEIYETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-8-10(16-12(9)15)4-2-6-13-7-3-5-11(13)14/h8,10H,2-7H2,1H3.
What are the key properties of 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one?
1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one has a molecular weight of 223.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 162402967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).