(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one

C8H13NO2 — CID 125426256

IUPAC(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@]1(CO)CCNC1=O
InChIInChI=1S/C8H13NO2/c1-2-3-8(6-10)4-5-9-7(8)11/h2,10H,1,3-6H2,(H,9,11)/t8-/m1/s1
InChIKeyUDXRGMRCAWTLRR-MRVPVSSYSA-N
MW155.20 g/mol
LogP0.06
Rot. Bonds3

About (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one

(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one (PubChem CID 125426256) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one
PubChem CID125426256
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@]1(CO)CCNC1=O
InChIInChI=1S/C8H13NO2/c1-2-3-8(6-10)4-5-9-7(8)11/h2,10H,1,3-6H2,(H,9,11)/t8-/m1/s1
InChIKeyUDXRGMRCAWTLRR-MRVPVSSYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one
CID 125425373
(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 125425353
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
3,3-bis(prop-2-enyl)piperidin-2-one;tert-butyl formate
CID 174764189
5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 23359507
(3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one
CID 125426069
8-(hydroxymethyl)-2-azaspiro[4.5]decan-1-one
CID 176544872
3,3-bis(hydroxymethyl)pyrrolidine-2,5-dione
CID 70519148
3-ethyl-3-hydroxypyrrolidin-2-one
CID 123912122
ethyl (3S)-2-oxo-3-prop-2-enylpiperidine-3-carboxylate
CID 138616102
(1-prop-2-enylcyclopropyl)methanol
CID 534677
(3S,5S)-5-(hydroxymethyl)-3-methyl-3-prop-2-enylpyrrolidin-2-one
CID 142636257

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one (CID 125426256) is (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one is C=CC[C@]1(CO)CCNC1=O.
What is the InChIKey of (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is UDXRGMRCAWTLRR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-8(6-10)4-5-9-7(8)11/h2,10H,1,3-6H2,(H,9,11)/t8-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one?
(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 125426256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).