(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone

C12H21N3O — CID 79161537

IUPAC(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1CC2CNCC2N1C(=O)N1CCCC1
InChIInChI=1S/C12H21N3O/c1-9-6-10-7-13-8-11(10)15(9)12(16)14-4-2-3-5-14/h9-11,13H,2-8H2,1H3
InChIKeyDXDAOWVYCCPJEU-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.88
Rot. Bonds

About (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone

(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 79161537) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID79161537
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1CC2CNCC2N1C(=O)N1CCCC1
InChIInChI=1S/C12H21N3O/c1-9-6-10-7-13-8-11(10)15(9)12(16)14-4-2-3-5-14/h9-11,13H,2-8H2,1H3
InChIKeyDXDAOWVYCCPJEU-UHFFFAOYSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone (CID 79161537) is (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone is CC1CC2CNCC2N1C(=O)N1CCCC1.
What is the InChIKey of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is DXDAOWVYCCPJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-6-10-7-13-8-11(10)15(9)12(16)14-4-2-3-5-14/h9-11,13H,2-8H2,1H3.
What are the key properties of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone?
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 223.32 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 79161537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).