(3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one

C15H24N2O2 — CID 146119842

IUPAC(3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
SMILESCN1C(=O)[C@@H](OCC2CC2)[C@H]2CN(CC3CC3)C[C@H]21
InChIInChI=1S/C15H24N2O2/c1-16-13-8-17(6-10-2-3-10)7-12(13)14(15(16)18)19-9-11-4-5-11/h10-14H,2-9H2,1H3/t12-,13+,14-/m0/s1
InChIKeyZGOKRDWEFDSJOT-MJBXVCDLSA-N
MW264.37 g/mol
LogP0.96
Rot. Bonds5

About (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one

(3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one (PubChem CID 146119842) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one.

Molecular Properties

Compound Name(3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
PubChem CID146119842
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
SMILESCN1C(=O)[C@@H](OCC2CC2)[C@H]2CN(CC3CC3)C[C@H]21
InChIInChI=1S/C15H24N2O2/c1-16-13-8-17(6-10-2-3-10)7-12(13)14(15(16)18)19-9-11-4-5-11/h10-14H,2-9H2,1H3/t12-,13+,14-/m0/s1
InChIKeyZGOKRDWEFDSJOT-MJBXVCDLSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
The IUPAC name of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one (CID 146119842) is (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one.
What is the SMILES notation for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
The canonical SMILES for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one is CN1C(=O)[C@@H](OCC2CC2)[C@H]2CN(CC3CC3)C[C@H]21.
What is the InChIKey of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
The InChIKey is ZGOKRDWEFDSJOT-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-13-8-17(6-10-2-3-10)7-12(13)14(15(16)18)19-9-11-4-5-11/h10-14H,2-9H2,1H3/t12-,13+,14-/m0/s1.
What are the key properties of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
(3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one has a molecular weight of 264.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one is sourced from PubChem (CID 146119842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).