2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one

C15H27NO2 — CID 143960460

IUPAC2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESC=CCCCCOC(C)(C)C(=O)N1CCCC1C
InChIInChI=1S/C15H27NO2/c1-5-6-7-8-12-18-15(3,4)14(17)16-11-9-10-13(16)2/h5,13H,1,6-12H2,2-4H3
InChIKeyADDQAZSFUXOECG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.15
Rot. Bonds7

About 2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one

2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 143960460) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one
PubChem CID143960460
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESC=CCCCCOC(C)(C)C(=O)N1CCCC1C
InChIInChI=1S/C15H27NO2/c1-5-6-7-8-12-18-15(3,4)14(17)16-11-9-10-13(16)2/h5,13H,1,6-12H2,2-4H3
InChIKeyADDQAZSFUXOECG-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.15
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

Tert-butyl 4-but-3-enyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 85317030
2-Methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone
CID 166967397
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2H-furan-5-yl)methanone
CID 10727900
tert-butyl (4S)-4-but-3-enyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10923119
(2R)-2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 143960447
(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
2-Hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone
CID 143960617

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one (CID 143960460) is 2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one is C=CCCCCOC(C)(C)C(=O)N1CCCC1C.
What is the InChIKey of 2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is ADDQAZSFUXOECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-6-7-8-12-18-15(3,4)14(17)16-11-9-10-13(16)2/h5,13H,1,6-12H2,2-4H3.
What are the key properties of 2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one?
2-hex-5-enoxy-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 3.15, 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-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 143960460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).