1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one

C10H17NO2 — CID 162381734

IUPAC1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(C)C[C@@H]1COC
InChIInChI=1S/C10H17NO2/c1-4-10(12)11-6-8(2)5-9(11)7-13-3/h4,8-9H,1,5-7H2,2-3H3/t8?,9-/m1/s1
InChIKeyXZQMWOBTESZKNB-YGPZHTELSA-N
MW183.25 g/mol
LogP1.06
Rot. Bonds3

About 1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one

1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 162381734) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one
PubChem CID162381734
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(C)C[C@@H]1COC
InChIInChI=1S/C10H17NO2/c1-4-10(12)11-6-8(2)5-9(11)7-13-3/h4,8-9H,1,5-7H2,2-3H3/t8?,9-/m1/s1
InChIKeyXZQMWOBTESZKNB-YGPZHTELSA-N
XLogP1.06
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 ≤ 51.06
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-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one (CID 162381734) is 1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(C)C[C@@H]1COC.
What is the InChIKey of 1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is XZQMWOBTESZKNB-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-10(12)11-6-8(2)5-9(11)7-13-3/h4,8-9H,1,5-7H2,2-3H3/t8?,9-/m1/s1.
What are the key properties of 1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one?
1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 162381734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).