(3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one

C13H19NO3 — CID 24755874

IUPAC(3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
SMILESC=CC[C@H]1[C@@H]2OC(C)(C)O[C@@H]2C(=O)N1CC=C
InChIInChI=1S/C13H19NO3/c1-5-7-9-10-11(17-13(3,4)16-10)12(15)14(9)8-6-2/h5-6,9-11H,1-2,7-8H2,3-4H3/t9-,10-,11-/m0/s1
InChIKeyOATZMRICOISWFK-DCAQKATOSA-N
MW237.30 g/mol
LogP1.48
Rot. Bonds4

About (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one

(3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one (PubChem CID 24755874) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
PubChem CID24755874
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
SMILESC=CC[C@H]1[C@@H]2OC(C)(C)O[C@@H]2C(=O)N1CC=C
InChIInChI=1S/C13H19NO3/c1-5-7-9-10-11(17-13(3,4)16-10)12(15)14(9)8-6-2/h5-6,9-11H,1-2,7-8H2,3-4H3/t9-,10-,11-/m0/s1
InChIKeyOATZMRICOISWFK-DCAQKATOSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The IUPAC name of (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one (CID 24755874) is (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one.
What is the SMILES notation for (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The canonical SMILES for (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one is C=CC[C@H]1[C@@H]2OC(C)(C)O[C@@H]2C(=O)N1CC=C.
What is the InChIKey of (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The InChIKey is OATZMRICOISWFK-DCAQKATOSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-7-9-10-11(17-13(3,4)16-10)12(15)14(9)8-6-2/h5-6,9-11H,1-2,7-8H2,3-4H3/t9-,10-,11-/m0/s1.
What are the key properties of (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
(3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one has a molecular weight of 237.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one is sourced from PubChem (CID 24755874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).