2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone

C13H23NO2 — CID 143960617

IUPAC2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESC=CCCCCOCC(=O)N1CCCC1C
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-10-16-11-13(15)14-9-7-8-12(14)2/h3,12H,1,4-11H2,2H3
InChIKeyNZXZVVVFDDVLBN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.37
Rot. Bonds7

About 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone

2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone (PubChem CID 143960617) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone
PubChem CID143960617
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESC=CCCCCOCC(=O)N1CCCC1C
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-10-16-11-13(15)14-9-7-8-12(14)2/h3,12H,1,4-11H2,2H3
InChIKeyNZXZVVVFDDVLBN-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone
CID 166967397
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 173111081
N-cyclopentyl-2-ethoxy-N-prop-2-enylacetamide
CID 61062665
2-pent-4-enoxy-N,N-di(propan-2-yl)acetamide
CID 101787855
2-ethoxy-N-methyl-N-pent-4-enylacetamide
CID 115640280
(2R)-2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 143960447
2-Hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 143960460
(2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one
CID 143960522
2-Hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 143960570
(2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one
CID 143960583

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone (CID 143960617) is 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone is C=CCCCCOCC(=O)N1CCCC1C.
What is the InChIKey of 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone?
The InChIKey is NZXZVVVFDDVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-4-5-6-10-16-11-13(15)14-9-7-8-12(14)2/h3,12H,1,4-11H2,2H3.
What are the key properties of 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone?
2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 143960617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).