1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one

C10H13NO2 — CID 43535702

IUPAC1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one
SMILESCC(c1ccco1)N1CCC(=O)C1
InChIInChI=1S/C10H13NO2/c1-8(10-3-2-6-13-10)11-5-4-9(12)7-11/h2-3,6,8H,4-5,7H2,1H3
InChIKeyVUBIPIGSZNJOTO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.62
Rot. Bonds2

About 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one

1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one (PubChem CID 43535702) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one
PubChem CID43535702
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one
SMILESCC(c1ccco1)N1CCC(=O)C1
InChIInChI=1S/C10H13NO2/c1-8(10-3-2-6-13-10)11-5-4-9(12)7-11/h2-3,6,8H,4-5,7H2,1H3
InChIKeyVUBIPIGSZNJOTO-UHFFFAOYSA-N
XLogP1.62
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559643
4-[1-(furan-2-yl)ethyl]thiomorpholine
CID 130749822
1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183897
1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 66242832
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-amine
CID 43535712
[1-[(1S)-1-(furan-2-yl)ethyl]piperidin-4-yl]methanol
CID 95934404
(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
CID 71633408
1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575099
[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 98085589
1-[1-(furan-2-yl)ethyl]-3,7-dimethyl-1,5-diazocane
CID 54973303
1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine
CID 86817748
2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065324

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one (CID 43535702) is 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one is CC(c1ccco1)N1CCC(=O)C1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one?
The InChIKey is VUBIPIGSZNJOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(10-3-2-6-13-10)11-5-4-9(12)7-11/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one?
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one has a molecular weight of 179.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one is sourced from PubChem (CID 43535702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).