(3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one

C15H21NO — CID 102353970

IUPAC(3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one
SMILESC=CC(=C)CCCN1C(=O)[C@@H](C=C)C[C@H]1C=C
InChIInChI=1S/C15H21NO/c1-5-12(4)9-8-10-16-14(7-3)11-13(6-2)15(16)17/h5-7,13-14H,1-4,8-11H2/t13-,14+/m0/s1
InChIKeyWHZAFEKZMDGJTJ-UONOGXRCSA-N
MW231.34 g/mol
LogP3.10
Rot. Bonds7

About (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one

(3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one (PubChem CID 102353970) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one
PubChem CID102353970
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one
SMILESC=CC(=C)CCCN1C(=O)[C@@H](C=C)C[C@H]1C=C
InChIInChI=1S/C15H21NO/c1-5-12(4)9-8-10-16-14(7-3)11-13(6-2)15(16)17/h5-7,13-14H,1-4,8-11H2/t13-,14+/m0/s1
InChIKeyWHZAFEKZMDGJTJ-UONOGXRCSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one
CID 135070598
(3R,5S)-3,5-bis(ethenyl)-1-prop-2-enoylpyrrolidin-2-one
CID 102474509
7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid
CID 167175811
tert-butyl (3S,5R)-3,5-bis(ethenyl)-2-oxopyrrolidine-1-carboxylate
CID 101410913
(3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one
CID 102474513
(5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one
CID 10830736
3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrate
CID 175014118
N-hydroxy-5-methylidenehept-6-enamide
CID 11252135
4-ethenyl-1-ethylazetidin-2-one
CID 150972777
4-ethenyl-3-hydroxy-1,3-oxazolidin-2-one
CID 134839324
3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one
CID 143913844
4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-prop-2-enylbutanamide
CID 8817663

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one (CID 102353970) is (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one is C=CC(=C)CCCN1C(=O)[C@@H](C=C)C[C@H]1C=C.
What is the InChIKey of (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one?
The InChIKey is WHZAFEKZMDGJTJ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-12(4)9-8-10-16-14(7-3)11-13(6-2)15(16)17/h5-7,13-14H,1-4,8-11H2/t13-,14+/m0/s1.
What are the key properties of (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one?
(3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-bis(ethenyl)-1-(4-methylidenehex-5-enyl)pyrrolidin-2-one is sourced from PubChem (CID 102353970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).