ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne

C19H29NO4 — CID 144985081

IUPACethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne
SMILESC=C(OC)ON1C(=O)CCC1=O.CC.C[C@@]12CCC#CCC[C@@H]1C2
InChIInChI=1S/C10H14.C7H9NO4.C2H6/c1-10-7-5-3-2-4-6-9(10)8-10;1-5(11-2)12-8-6(9)3-4-7(8)10;1-2/h9H,4-8H2,1H3;1,3-4H2,2H3;1-2H3/t9-,10+;;/m1../s1
InChIKeyWKRSMBMDHSCCBM-NKRBYZSKSA-N
MW335.44 g/mol
LogP3.80
Rot. Bonds3

About ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne

ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne (PubChem CID 144985081) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne.

Molecular Properties

Compound Nameethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne
PubChem CID144985081
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nameethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne
SMILESC=C(OC)ON1C(=O)CCC1=O.CC.C[C@@]12CCC#CCC[C@@H]1C2
InChIInChI=1S/C10H14.C7H9NO4.C2H6/c1-10-7-5-3-2-4-6-9(10)8-10;1-5(11-2)12-8-6(9)3-4-7(8)10;1-2/h9H,4-8H2,1H3;1,3-4H2,2H3;1-2H3/t9-,10+;;/m1../s1
InChIKeyWKRSMBMDHSCCBM-NKRBYZSKSA-N
XLogP3.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne?
The IUPAC name of ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne (CID 144985081) is ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne.
What is the SMILES notation for ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne?
The canonical SMILES for ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne is C=C(OC)ON1C(=O)CCC1=O.CC.C[C@@]12CCC#CCC[C@@H]1C2.
What is the InChIKey of ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne?
The InChIKey is WKRSMBMDHSCCBM-NKRBYZSKSA-N. The full InChI is InChI=1S/C10H14.C7H9NO4.C2H6/c1-10-7-5-3-2-4-6-9(10)8-10;1-5(11-2)12-8-6(9)3-4-7(8)10;1-2/h9H,4-8H2,1H3;1,3-4H2,2H3;1-2H3/t9-,10+;;/m1../s1.
What are the key properties of ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne?
ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne has a molecular weight of 335.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne is sourced from PubChem (CID 144985081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).