1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione

C14H15NO2 — CID 142338376

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(C2CC3CC3C2)C1=O
InChIInChI=1S/C14H15NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-6-8-5-9(8)7-10/h3-4,8-10H,1-2,5-7H2
InChIKeyICJONWHUQVELFE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.82
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione

1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione (PubChem CID 142338376) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione
PubChem CID142338376
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(C2CC3CC3C2)C1=O
InChIInChI=1S/C14H15NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-6-8-5-9(8)7-10/h3-4,8-10H,1-2,5-7H2
InChIKeyICJONWHUQVELFE-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione
CID 178143020
3-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-1-methoxycyclobutane-1-carboxamide
CID 142554994
5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione
CID 91408352
3,4-bis(ethenyl)-1-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-azepin-3-yl]pyrrole-2,5-dione
CID 145225150
3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one
CID 143303962
2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione
CID 139417142
1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione
CID 131196676
1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione
CID 130791739
3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione
CID 144985941
4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one
CID 170081834
3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one
CID 130987434
1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride
CID 67085216

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione (CID 142338376) is 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione is C=CC1=C(C=C)C(=O)N(C2CC3CC3C2)C1=O.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione?
The InChIKey is ICJONWHUQVELFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-6-8-5-9(8)7-10/h3-4,8-10H,1-2,5-7H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione?
1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione has a molecular weight of 229.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione is sourced from PubChem (CID 142338376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).