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

C14H25NO2 — CID 143960570

IUPAC2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESC=CCCCCOC(C)C(=O)N1CCCC1C
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-11-17-13(3)14(16)15-10-8-9-12(15)2/h4,12-13H,1,5-11H2,2-3H3
InChIKeyMDJSFPKLHAFPFY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.76
Rot. Bonds7

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

2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 143960570) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one
PubChem CID143960570
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESC=CCCCCOC(C)C(=O)N1CCCC1C
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-11-17-13(3)14(16)15-10-8-9-12(15)2/h4,12-13H,1,5-11H2,2-3H3
InChIKeyMDJSFPKLHAFPFY-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.76
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

[(3R,5S)-1-acetyl-5-prop-2-enylpyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 164683830
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
CID 59396003
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
CID 59396030
1-(2,2-Dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)propan-1-one
CID 72287438
2-Methoxy-1-[2-(1-methoxyethenyl)pyrrolidin-1-yl]ethanone
CID 166967397
(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxypent-4-en-1-one
CID 102317392
(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxypent-4-en-1-one
CID 102317393
2-But-3-enoxy-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 112421176
N-methyl-N-propan-2-yl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130693774
(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

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one (CID 143960570) is 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one is C=CCCCCOC(C)C(=O)N1CCCC1C.
What is the InChIKey of 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is MDJSFPKLHAFPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-6-7-11-17-13(3)14(16)15-10-8-9-12(15)2/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of 2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one?
2-hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.76, 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)propan-1-one is sourced from PubChem (CID 143960570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).