1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one

C15H19NO3 — CID 64865890

IUPAC1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
SMILESCCC(=O)C(C)Oc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H19NO3/c1-3-14(17)11(2)19-13-7-4-6-12(10-13)16-9-5-8-15(16)18/h4,6-7,10-11H,3,5,8-9H2,1-2H3
InChIKeyDQCOPIMFNNLJCL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.56
Rot. Bonds5

About 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one

1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one (PubChem CID 64865890) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
PubChem CID64865890
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
SMILESCCC(=O)C(C)Oc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H19NO3/c1-3-14(17)11(2)19-13-7-4-6-12(10-13)16-9-5-8-15(16)18/h4,6-7,10-11H,3,5,8-9H2,1-2H3
InChIKeyDQCOPIMFNNLJCL-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
2-(3-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86926058
(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 25408427
N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 46656819
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 46490501
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one (CID 64865890) is 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one is CCC(=O)C(C)Oc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one?
The InChIKey is DQCOPIMFNNLJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-14(17)11(2)19-13-7-4-6-12(10-13)16-9-5-8-15(16)18/h4,6-7,10-11H,3,5,8-9H2,1-2H3.
What are the key properties of 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one?
1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 64865890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).