1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one

C10H17NO2 — CID 135010990

IUPAC1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CC1CCC(=O)N1COC
InChIInChI=1S/C10H17NO2/c1-8(2)6-9-4-5-10(12)11(9)7-13-3/h9H,1,4-7H2,2-3H3
InChIKeyZEOQSHGJJISHRR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds4

About 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one

1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one (PubChem CID 135010990) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one
PubChem CID135010990
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CC1CCC(=O)N1COC
InChIInChI=1S/C10H17NO2/c1-8(2)6-9-4-5-10(12)11(9)7-13-3/h9H,1,4-7H2,2-3H3
InChIKeyZEOQSHGJJISHRR-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]oct-7-en-1-one
CID 14784829
1-Hept-6-enoyl-5-pentylpyrrolidin-2-one
CID 20368618
(5R)-5-(But-3-en-1-yl)-1-(prop-2-en-1-yl)pyrrolidin-2-one
CID 69702815
5-But-3-enyl-1-prop-2-enylpyrrolidin-2-one
CID 69702816
N-cyclohexyl-N-methyl-4-methylideneheptanamide
CID 70253368
1-Hexan-2-ylpyrrolidin-2-one;2-methylpent-1-ene
CID 91391399
Ethane;1-(4-methylidenecyclohexyl)pyrrolidin-2-one
CID 123551438
1-(2-Pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one
CID 166967507
methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate
CID 11217830
5-Butyl-1-hexyl-3-methylene-2-pyrrolidinone
CID 24978196
1-(Hydroxymethyl)-3-methylidene-5-pentylpyrrolidin-2-one
CID 71414840
1-Butyl-3-methylidene-5-propylpyrrolidin-2-one
CID 86155260

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one (CID 135010990) is 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one is C=C(C)CC1CCC(=O)N1COC.
What is the InChIKey of 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one?
The InChIKey is ZEOQSHGJJISHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)6-9-4-5-10(12)11(9)7-13-3/h9H,1,4-7H2,2-3H3.
What are the key properties of 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one?
1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 135010990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).