1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one

C10H17NO2 — CID 11275408

IUPAC1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCC[C@H]1COC
InChIInChI=1S/C10H17NO2/c1-8(2)10(12)11-6-4-5-9(11)7-13-3/h9H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeyMANSWGILFMEFRK-VIFPVBQESA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

About 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one

1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one (PubChem CID 11275408) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
PubChem CID11275408
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCC[C@H]1COC
InChIInChI=1S/C10H17NO2/c1-8(2)10(12)11-6-4-5-9(11)7-13-3/h9H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeyMANSWGILFMEFRK-VIFPVBQESA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one?
The IUPAC name of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one (CID 11275408) is 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one?
The canonical SMILES for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one is C=C(C)C(=O)N1CCC[C@H]1COC.
What is the InChIKey of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one?
The InChIKey is MANSWGILFMEFRK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)10(12)11-6-4-5-9(11)7-13-3/h9H,1,4-7H2,2-3H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one?
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 11275408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).