2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one

C14H25NO2 — CID 143960585

IUPAC2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one
SMILESC=CCCCOCC(C)C(=O)N1CCCC1C
InChIInChI=1S/C14H25NO2/c1-4-5-6-10-17-11-12(2)14(16)15-9-7-8-13(15)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyACEZMVAAHLKAAX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.62
Rot. Bonds7

About 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one

2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one (PubChem CID 143960585) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one
PubChem CID143960585
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one
SMILESC=CCCCOCC(C)C(=O)N1CCCC1C
InChIInChI=1S/C14H25NO2/c1-4-5-6-10-17-11-12(2)14(16)15-9-7-8-13(15)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyACEZMVAAHLKAAX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

(Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one
CID 170069040
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 170955387
3-(4-methoxyphenyl)-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 156646032
1-O-(2-methylpropyl) 2-O-undec-10-enyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837282
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046
3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071903
2-amino-3-pent-4-enoxypropanoic acid
CID 79114694
[(2S)-1-[(2R)-2-methylpent-4-enoyl]pyrrolidin-2-yl]methyl pent-4-enoate
CID 118867234

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one?
The IUPAC name of 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one (CID 143960585) is 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one is C=CCCCOCC(C)C(=O)N1CCCC1C.
What is the InChIKey of 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one?
The InChIKey is ACEZMVAAHLKAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-6-10-17-11-12(2)14(16)15-9-7-8-13(15)3/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one?
2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one is sourced from PubChem (CID 143960585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).