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

C12H24N2O — CID 66209781

IUPAC5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
SMILESCC1C2CNCC2CN1CCCCCO
InChIInChI=1S/C12H24N2O/c1-10-12-8-13-7-11(12)9-14(10)5-3-2-4-6-15/h10-13,15H,2-9H2,1H3
InChIKeyCFVYYDCTLJDYOI-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.69
Rot. Bonds5

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

5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol (PubChem CID 66209781) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
PubChem CID66209781
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
SMILESCC1C2CNCC2CN1CCCCCO
InChIInChI=1S/C12H24N2O/c1-10-12-8-13-7-11(12)9-14(10)5-3-2-4-6-15/h10-13,15H,2-9H2,1H3
InChIKeyCFVYYDCTLJDYOI-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
The IUPAC name of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol (CID 66209781) is 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol.
What is the SMILES notation for 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
The canonical SMILES for 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol is CC1C2CNCC2CN1CCCCCO.
What is the InChIKey of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
The InChIKey is CFVYYDCTLJDYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-12-8-13-7-11(12)9-14(10)5-3-2-4-6-15/h10-13,15H,2-9H2,1H3.
What are the key properties of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol is sourced from PubChem (CID 66209781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).