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

C13H26N2O — CID 66209508

IUPAC5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
SMILESCCC1C2CNCC2CN1CCCCCO
InChIInChI=1S/C13H26N2O/c1-2-13-12-9-14-8-11(12)10-15(13)6-4-3-5-7-16/h11-14,16H,2-10H2,1H3
InChIKeyVCHXQDHAJQCGGL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.08
Rot. Bonds6

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

5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol (PubChem CID 66209508) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
PubChem CID66209508
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
SMILESCCC1C2CNCC2CN1CCCCCO
InChIInChI=1S/C13H26N2O/c1-2-13-12-9-14-8-11(12)10-15(13)6-4-3-5-7-16/h11-14,16H,2-10H2,1H3
InChIKeyVCHXQDHAJQCGGL-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.08
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-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
The IUPAC name of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol (CID 66209508) is 5-(4-ethyl-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-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
The canonical SMILES for 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol is CCC1C2CNCC2CN1CCCCCO.
What is the InChIKey of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
The InChIKey is VCHXQDHAJQCGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-13-12-9-14-8-11(12)10-15(13)6-4-3-5-7-16/h11-14,16H,2-10H2,1H3.
What are the key properties of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol is sourced from PubChem (CID 66209508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).