1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one

C10H17NO2S — CID 168669527

IUPAC1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESC=COCCCN1CC(CS)CC1=O
InChIInChI=1S/C10H17NO2S/c1-2-13-5-3-4-11-7-9(8-14)6-10(11)12/h2,9,14H,1,3-8H2
InChIKeyRBXBBSSQSWVDCB-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.31
Rot. Bonds6

About 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168669527) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168669527
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESC=COCCCN1CC(CS)CC1=O
InChIInChI=1S/C10H17NO2S/c1-2-13-5-3-4-11-7-9(8-14)6-10(11)12/h2,9,14H,1,3-8H2
InChIKeyRBXBBSSQSWVDCB-UHFFFAOYSA-N
XLogP1.31
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-pyrrolidin-1-ylbutyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670896
1-[2-(2-aminoethoxy)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670942
1-[2-[methyl(propan-2-yl)amino]ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669654
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
4-(hydroxymethyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-2-one
CID 168661946
1-(2-aminopropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669215
1-[2-(2-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670974
1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669465
S-[[1-[3-(2-methoxyethoxy)propyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666770
1-(2-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671011

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168669527) is 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one is C=COCCCN1CC(CS)CC1=O.
What is the InChIKey of 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is RBXBBSSQSWVDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-2-13-5-3-4-11-7-9(8-14)6-10(11)12/h2,9,14H,1,3-8H2.
What are the key properties of 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 215.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenoxypropyl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168669527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).