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

C11H22N2O — CID 66208071

IUPAC1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol
SMILESCCC(O)CN1CC2CNCC2C1C
InChIInChI=1S/C11H22N2O/c1-3-10(14)7-13-6-9-4-12-5-11(9)8(13)2/h8-12,14H,3-7H2,1-2H3
InChIKeyQJJQHYRWQIMFFL-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.30
Rot. Bonds3

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

1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol (PubChem CID 66208071) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol
PubChem CID66208071
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol
SMILESCCC(O)CN1CC2CNCC2C1C
InChIInChI=1S/C11H22N2O/c1-3-10(14)7-13-6-9-4-12-5-11(9)8(13)2/h8-12,14H,3-7H2,1-2H3
InChIKeyQJJQHYRWQIMFFL-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol?
The IUPAC name of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol (CID 66208071) is 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol.
What is the SMILES notation for 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol?
The canonical SMILES for 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol is CCC(O)CN1CC2CNCC2C1C.
What is the InChIKey of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol?
The InChIKey is QJJQHYRWQIMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-10(14)7-13-6-9-4-12-5-11(9)8(13)2/h8-12,14H,3-7H2,1-2H3.
What are the key properties of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol?
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol is sourced from PubChem (CID 66208071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).