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

C14H26N2O — CID 66208549

IUPAC1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol
SMILESCCC1C2CNCC2CN1CC1(O)CCCC1
InChIInChI=1S/C14H26N2O/c1-2-13-12-8-15-7-11(12)9-16(13)10-14(17)5-3-4-6-14/h11-13,15,17H,2-10H2,1H3
InChIKeyLBECTKLORBFAII-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.22
Rot. Bonds3

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

1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol (PubChem CID 66208549) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol
PubChem CID66208549
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol
SMILESCCC1C2CNCC2CN1CC1(O)CCCC1
InChIInChI=1S/C14H26N2O/c1-2-13-12-8-15-7-11(12)9-16(13)10-14(17)5-3-4-6-14/h11-13,15,17H,2-10H2,1H3
InChIKeyLBECTKLORBFAII-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol (CID 66208549) is 1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol is CCC1C2CNCC2CN1CC1(O)CCCC1.
What is the InChIKey of 1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol?
The InChIKey is LBECTKLORBFAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-13-12-8-15-7-11(12)9-16(13)10-14(17)5-3-4-6-14/h11-13,15,17H,2-10H2,1H3.
What are the key properties of 1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol?
1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 66208549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).