(2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one

C13H23NO2 — CID 143960522

IUPAC(2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one
SMILESC=CCCCO[C@H](C)C(=O)N1CCCC1C
InChIInChI=1S/C13H23NO2/c1-4-5-6-10-16-12(3)13(15)14-9-7-8-11(14)2/h4,11-12H,1,5-10H2,2-3H3/t11?,12-/m1/s1
InChIKeyUMFMTKDFKVRBKY-PIJUOVFKSA-N
MW225.33 g/mol
LogP2.37
Rot. Bonds6

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

(2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one (PubChem CID 143960522) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one
PubChem CID143960522
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one
SMILESC=CCCCO[C@H](C)C(=O)N1CCCC1C
InChIInChI=1S/C13H23NO2/c1-4-5-6-10-16-12(3)13(15)14-9-7-8-11(14)2/h4,11-12H,1,5-10H2,2-3H3/t11?,12-/m1/s1
InChIKeyUMFMTKDFKVRBKY-PIJUOVFKSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

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
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 173111081
N-cyclopentyl-2-propan-2-yloxy-N-prop-2-enylacetamide
CID 48206379
2-But-3-enoxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 86851050
(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
N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide
CID 112685944
N-methyl-N-pent-4-enyl-2-propan-2-yloxyacetamide
CID 115640290
2-methoxy-N-methyl-N-pent-4-enylpropanamide
CID 115640355

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one?
The IUPAC name of (2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one (CID 143960522) is (2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one.
What is the SMILES notation for (2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one?
The canonical SMILES for (2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one is C=CCCCO[C@H](C)C(=O)N1CCCC1C.
What is the InChIKey of (2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one?
The InChIKey is UMFMTKDFKVRBKY-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-5-6-10-16-12(3)13(15)14-9-7-8-11(14)2/h4,11-12H,1,5-10H2,2-3H3/t11?,12-/m1/s1.
What are the key properties of (2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one?
(2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one is sourced from PubChem (CID 143960522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).