1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone

C11H19NO2 — CID 123511978

IUPAC1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone
SMILESC=CCCCC1C(O)CCN1C(C)=O
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-10-11(14)7-8-12(10)9(2)13/h3,10-11,14H,1,4-8H2,2H3
InChIKeyNTNNZBQJSMPANO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.32
Rot. Bonds4

About 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone

1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone (PubChem CID 123511978) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone
PubChem CID123511978
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone
SMILESC=CCCCC1C(O)CCN1C(C)=O
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-10-11(14)7-8-12(10)9(2)13/h3,10-11,14H,1,4-8H2,2H3
InChIKeyNTNNZBQJSMPANO-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
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

(2s,4r)-2-Allyl-4-hydroxy-1-methoxycarbonyl pyrrolidine
CID 101469363
Methyl (2R,4S)-2-allyl-4-hydroxy-pyrrolidine-1-carboxylate
CID 162342084
1-[(2R,5R)-2-ethenyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 102184615
2-hydroxy-1-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]ethanone
CID 59739764
1-[(2S)-2-(2-hydroxyethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 89374189
1-[(2S,3R)-3-hydroxy-2-pent-4-enylpyrrolidin-1-yl]ethanone
CID 89921724
1-[4-Ethenyl-3-hydroxy-2-(hydroxymethyl)-5-propylpyrrolidin-1-yl]ethanone
CID 123625050
Methyl 3-hydroxy-5-methoxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 140164925
(2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid
CID 146218685
1-[(2R,4S)-2-ethenyl-4-hydroxypyrrolidin-1-yl]decan-1-one
CID 156109358
ethane;(2S,4R)-2-ethenyl-4-hydroxypyrrolidine-1-carbaldehyde
CID 163386421
methyl (2R,3R)-3-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 14587583

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone (CID 123511978) is 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone is C=CCCCC1C(O)CCN1C(C)=O.
What is the InChIKey of 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone?
The InChIKey is NTNNZBQJSMPANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-5-6-10-11(14)7-8-12(10)9(2)13/h3,10-11,14H,1,4-8H2,2H3.
What are the key properties of 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone?
1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-pent-4-enylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 123511978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).