2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone

C10H17NO3 — CID 166967397

IUPAC2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone
SMILESC=C(OC)C1CCCN1C(=O)COC
InChIInChI=1S/C10H17NO3/c1-8(14-3)9-5-4-6-11(9)10(12)7-13-2/h9H,1,4-7H2,2-3H3
InChIKeyKZIXKUYVHBIALX-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.78
Rot. Bonds4

About 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone

2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone (PubChem CID 166967397) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone
PubChem CID166967397
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone
SMILESC=C(OC)C1CCCN1C(=O)COC
InChIInChI=1S/C10H17NO3/c1-8(14-3)9-5-4-6-11(9)10(12)7-13-2/h9H,1,4-7H2,2-3H3
InChIKeyKZIXKUYVHBIALX-UHFFFAOYSA-N
XLogP0.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone (CID 166967397) is 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone is C=C(OC)C1CCCN1C(=O)COC.
What is the InChIKey of 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is KZIXKUYVHBIALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(14-3)9-5-4-6-11(9)10(12)7-13-2/h9H,1,4-7H2,2-3H3.
What are the key properties of 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone?
2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 199.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 166967397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).