(5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one

C12H19NO2 — CID 135041770

IUPAC(5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C(=O)CC[C@@H]1[C@H](O)C(C)=CC
InChIInChI=1S/C12H19NO2/c1-4-8-13-10(6-7-11(13)14)12(15)9(3)5-2/h4-5,10,12,15H,1,6-8H2,2-3H3/t10-,12-/m1/s1
InChIKeyAPJBXPXONCLSJV-ZYHUDNBSSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds4

About (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one

(5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one (PubChem CID 135041770) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one
PubChem CID135041770
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C(=O)CC[C@@H]1[C@H](O)C(C)=CC
InChIInChI=1S/C12H19NO2/c1-4-8-13-10(6-7-11(13)14)12(15)9(3)5-2/h4-5,10,12,15H,1,6-8H2,2-3H3/t10-,12-/m1/s1
InChIKeyAPJBXPXONCLSJV-ZYHUDNBSSA-N
XLogP1.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 57385438
(8S,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 101577498
(5R)-1-ethyl-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 141060670
(5R)-1-but-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 141060676
(5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 141060677
(5R)-1-[(Z)-4-hydroxybut-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 173218701
1-[(Z)-4-hydroxybut-2-enyl]-5-[(E,3R)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 173218702
(8S,8aS)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 10606954
(5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 11265317
(5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one
CID 59052757
(9aS)-9-hydroxy-1,2,5,8,9,9a-hexahydropyrrolo[1,2-a]azepin-3-one
CID 59052758
8-(1-hydroxybutyl)-2,5,6,8a-tetrahydro-1H-indolizin-3-one
CID 121001969

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one (CID 135041770) is (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one is C=CCN1C(=O)CC[C@@H]1[C@H](O)C(C)=CC.
What is the InChIKey of (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is APJBXPXONCLSJV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-8-13-10(6-7-11(13)14)12(15)9(3)5-2/h4-5,10,12,15H,1,6-8H2,2-3H3/t10-,12-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one?
(5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 135041770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).