1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one

C12H21NO3 — CID 166967435

IUPAC1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESC=C(OCC)C1CCCN1C(=O)CCOC
InChIInChI=1S/C12H21NO3/c1-4-16-10(2)11-6-5-8-13(11)12(14)7-9-15-3/h11H,2,4-9H2,1,3H3
InChIKeyCZAXKEDEVSRUAR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.56
Rot. Bonds6

About 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one

1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one (PubChem CID 166967435) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
PubChem CID166967435
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESC=C(OCC)C1CCCN1C(=O)CCOC
InChIInChI=1S/C12H21NO3/c1-4-16-10(2)11-6-5-8-13(11)12(14)7-9-15-3/h11H,2,4-9H2,1,3H3
InChIKeyCZAXKEDEVSRUAR-UHFFFAOYSA-N
XLogP1.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.56
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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Related Compounds

1-[2-[1-(2,2,2-Trichloroethoxy)ethenyl]pyrrolidin-1-yl]propan-1-one
CID 123618610
1-[2-(1-Ethoxyethenyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 166967395
2-Methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone
CID 166967397
4-[[(2S)-4-methylidene-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 170366455
1-[(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidin-1-yl]ethanone
CID 178049648

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one (CID 166967435) is 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one is C=C(OCC)C1CCCN1C(=O)CCOC.
What is the InChIKey of 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is CZAXKEDEVSRUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-16-10(2)11-6-5-8-13(11)12(14)7-9-15-3/h11H,2,4-9H2,1,3H3.
What are the key properties of 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one?
1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 227.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxyethenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 166967435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).