(2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one

C17H31NO2 — CID 143960583

IUPAC(2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one
SMILESC=CCCCCO[C@H](CC(C)C)C(=O)N1CCCC1C
InChIInChI=1S/C17H31NO2/c1-5-6-7-8-12-20-16(13-14(2)3)17(19)18-11-9-10-15(18)4/h5,14-16H,1,6-13H2,2-4H3/t15?,16-/m1/s1
InChIKeyOUJPOACHRKPSIT-OEMAIJDKSA-N
MW281.44 g/mol
LogP3.78
Rot. Bonds9

About (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one

(2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one (PubChem CID 143960583) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one
PubChem CID143960583
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one
SMILESC=CCCCCO[C@H](CC(C)C)C(=O)N1CCCC1C
InChIInChI=1S/C17H31NO2/c1-5-6-7-8-12-20-16(13-14(2)3)17(19)18-11-9-10-15(18)4/h5,14-16H,1,6-13H2,2-4H3/t15?,16-/m1/s1
InChIKeyOUJPOACHRKPSIT-OEMAIJDKSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.78
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

[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 95230156
2,2-diallyl-1-(tetrahydro-2H-pyran-2-ylcarbonyl)pyrrolidine
CID 56759753
1-[(2S,4S)-4-ethenyl-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 146359269
(2R)-2-methyl-1-[(4R)-4-propan-2-yl-1,3-oxazolidin-3-yl]hex-5-en-1-one
CID 176314505
1-[(4R)-4-propan-2-yl-1,3-oxazolidin-3-yl]hex-5-en-1-one
CID 176314514
[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 95230157
(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
2-Hex-5-enoxy-1-(2-methylpyrrolidin-1-yl)ethanone
CID 143960617
N-methyl-N-[5-methyl-2-(3-oxobutan-2-yloxy)hex-1-en-3-yl]pentanamide
CID 177343819

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one (CID 143960583) is (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one is C=CCCCCO[C@H](CC(C)C)C(=O)N1CCCC1C.
What is the InChIKey of (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is OUJPOACHRKPSIT-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H31NO2/c1-5-6-7-8-12-20-16(13-14(2)3)17(19)18-11-9-10-15(18)4/h5,14-16H,1,6-13H2,2-4H3/t15?,16-/m1/s1.
What are the key properties of (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one?
(2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 281.44 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hex-5-enoxy-4-methyl-1-(2-methylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 143960583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).