(3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C14H20N2O2 — CID 97401743

IUPAC(3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESC=CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C)C[C@@H]2C1=O
InChIInChI=1S/C14H20N2O2/c1-3-4-15-6-10-7-16(8-12(10)14(15)18)13(17)11-5-9(11)2/h3,9-12H,1,4-8H2,2H3/t9-,10+,11+,12-/m0/s1
InChIKeyUBVZDNMBGQUGHN-QCNOEVLYSA-N
MW248.33 g/mol
LogP0.75
Rot. Bonds3

About (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

(3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 97401743) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID97401743
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESC=CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C)C[C@@H]2C1=O
InChIInChI=1S/C14H20N2O2/c1-3-4-15-6-10-7-16(8-12(10)14(15)18)13(17)11-5-9(11)2/h3,9-12H,1,4-8H2,2H3/t9-,10+,11+,12-/m0/s1
InChIKeyUBVZDNMBGQUGHN-QCNOEVLYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-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 (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 97401743) is (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is C=CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C)C[C@@H]2C1=O.
What is the InChIKey of (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is UBVZDNMBGQUGHN-QCNOEVLYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-15-6-10-7-16(8-12(10)14(15)18)13(17)11-5-9(11)2/h3,9-12H,1,4-8H2,2H3/t9-,10+,11+,12-/m0/s1.
What are the key properties of (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
(3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 248.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 97401743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).