2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane

C12H24N2O — CID 177173629

IUPAC2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane
SMILESCC(C)C.CN1CC2CCNC(=O)C2C1
InChIInChI=1S/C8H14N2O.C4H10/c1-10-4-6-2-3-9-8(11)7(6)5-10;1-4(2)3/h6-7H,2-5H2,1H3,(H,9,11);4H,1-3H3
InChIKeyAUCAMQJWQYKIFS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.35
Rot. Bonds

About 2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane

2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane (PubChem CID 177173629) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane.

Molecular Properties

Compound Name2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane
PubChem CID177173629
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane
SMILESCC(C)C.CN1CC2CCNC(=O)C2C1
InChIInChI=1S/C8H14N2O.C4H10/c1-10-4-6-2-3-9-8(11)7(6)5-10;1-4(2)3/h6-7H,2-5H2,1H3,(H,9,11);4H,1-3H3
InChIKeyAUCAMQJWQYKIFS-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane?
The IUPAC name of 2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane (CID 177173629) is 2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane.
What is the SMILES notation for 2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane?
The canonical SMILES for 2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane is CC(C)C.CN1CC2CCNC(=O)C2C1.
What is the InChIKey of 2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane?
The InChIKey is AUCAMQJWQYKIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C4H10/c1-10-4-6-2-3-9-8(11)7(6)5-10;1-4(2)3/h6-7H,2-5H2,1H3,(H,9,11);4H,1-3H3.
What are the key properties of 2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane?
2-methyl-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane has a molecular weight of 212.34 g/mol, XLogP of 1.35, 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,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one;2-methylpropane is sourced from PubChem (CID 177173629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).