(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione

C11H16N2O2 — CID 129493814

IUPAC(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1[C@H]2CNCC[C@H]2C(=O)N1CC1CC1
InChIInChI=1S/C11H16N2O2/c14-10-8-3-4-12-5-9(8)11(15)13(10)6-7-1-2-7/h7-9,12H,1-6H2/t8-,9+/m1/s1
InChIKeyPJGWXGFOILGDIN-BDAKNGLRSA-N
MW208.26 g/mol
LogP-0.01
Rot. Bonds2

About (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione

(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 129493814) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID129493814
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1[C@H]2CNCC[C@H]2C(=O)N1CC1CC1
InChIInChI=1S/C11H16N2O2/c14-10-8-3-4-12-5-9(8)11(15)13(10)6-7-1-2-7/h7-9,12H,1-6H2/t8-,9+/m1/s1
InChIKeyPJGWXGFOILGDIN-BDAKNGLRSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione (CID 129493814) is (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione is O=C1[C@H]2CNCC[C@H]2C(=O)N1CC1CC1.
What is the InChIKey of (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is PJGWXGFOILGDIN-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-8-3-4-12-5-9(8)11(15)13(10)6-7-1-2-7/h7-9,12H,1-6H2/t8-,9+/m1/s1.
What are the key properties of (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione?
(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 208.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 129493814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).