(1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one

C12H17NO — CID 175675558

IUPAC(1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one
SMILESCCC1=C[C@@H]2[C@H](C1)CC21CNC(=O)C1
InChIInChI=1S/C12H17NO/c1-2-8-3-9-5-12(10(9)4-8)6-11(14)13-7-12/h4,9-10H,2-3,5-7H2,1H3,(H,13,14)/t9-,10-,12?/m1/s1
InChIKeyFMUVDFCMIVLIBM-UVTZGIPTSA-N
MW191.27 g/mol
LogP1.87
Rot. Bonds1

About (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one

(1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one (PubChem CID 175675558) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name(1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one
PubChem CID175675558
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one
SMILESCCC1=C[C@@H]2[C@H](C1)CC21CNC(=O)C1
InChIInChI=1S/C12H17NO/c1-2-8-3-9-5-12(10(9)4-8)6-11(14)13-7-12/h4,9-10H,2-3,5-7H2,1H3,(H,13,14)/t9-,10-,12?/m1/s1
InChIKeyFMUVDFCMIVLIBM-UVTZGIPTSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S,6R)-3-ethyl-6-hydroxybicyclo[3.2.0]hept-3-ene-6-sulfonic acid
CID 71582808
(1R,5S)-3-ethylbicyclo[3.2.0]hept-3-en-6-one
CID 71582576
(1S,5R,6S)-3-hydroxyspiro[bicyclo[3.2.0]heptane-6,4'-pyrrolidine]-2'-one
CID 155682575
2-[(1R,5S,6R)-3-ethyl-6-(nitromethyl)-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
CID 118181361
4-tert-butyl-4-ethylpyrrolidin-2-one;ethane
CID 153377409
ditert-butyl 2-[6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]propanedioate
CID 140682445
3-ethyl-2,5-dihydro-1H-pyridin-6-one
CID 55288091
(5R,9S)-9-methyl-2-azaspiro[4.4]nonan-3-one
CID 97030978
tert-butyl 2-[(1S,5R,6R)-3-ethyl-6-[(hydroxyamino)methyl]-6-bicyclo[3.2.0]hept-3-enyl]acetate
CID 140554292
4-ethyl-4-phenylpyrrolidin-2-one
CID 66107809
2-[3-ethyl-6-(nitromethyl)-6-bicyclo[3.2.0]hept-3-enyl]-N'-hydroxyethanimidamide
CID 118181359
3-hydroxy-6-azaspiro[3.4]octan-7-one
CID 146160573

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one?
The IUPAC name of (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one (CID 175675558) is (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one.
What is the SMILES notation for (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one?
The canonical SMILES for (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one is CCC1=C[C@@H]2[C@H](C1)CC21CNC(=O)C1.
What is the InChIKey of (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one?
The InChIKey is FMUVDFCMIVLIBM-UVTZGIPTSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-8-3-9-5-12(10(9)4-8)6-11(14)13-7-12/h4,9-10H,2-3,5-7H2,1H3,(H,13,14)/t9-,10-,12?/m1/s1.
What are the key properties of (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one?
(1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one has a molecular weight of 191.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 175675558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).