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

C10H20N2O — CID 115872857

IUPAC3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CC2CNCC2C1
InChIInChI=1S/C10H20N2O/c1-8(7-13)4-12-5-9-2-11-3-10(9)6-12/h8-11,13H,2-7H2,1H3
InChIKeyJPAYYLPHXSAEBG-UHFFFAOYSA-N
MW184.28 g/mol
LogP-0.23
Rot. Bonds3

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

3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol (PubChem CID 115872857) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol
PubChem CID115872857
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CC2CNCC2C1
InChIInChI=1S/C10H20N2O/c1-8(7-13)4-12-5-9-2-11-3-10(9)6-12/h8-11,13H,2-7H2,1H3
InChIKeyJPAYYLPHXSAEBG-UHFFFAOYSA-N
XLogP-0.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-fluoropentyl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl]methanol diacetate (salt)
CID 138382731
[2-(4,4,4-trifluorobutyl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl]methanol diacetate (salt)
CID 138387046
[4-(Diethylaminomethyl)pyrrolidin-3-yl]methanol
CID 18723534
2-(Hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethanol
CID 42614577
[(3R)-4-(diethylaminomethyl)pyrrolidin-3-yl]methanol
CID 59923075
3-[(1-Ethylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 61668819
3-[(1-Methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 61668869
CID 66936601
CID 66936601
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanol
CID 96487318
3-[(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 118531468
3-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol
CID 118534988
3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 126724942

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol (CID 115872857) is 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol is CC(CO)CN1CC2CNCC2C1.
What is the InChIKey of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol?
The InChIKey is JPAYYLPHXSAEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(7-13)4-12-5-9-2-11-3-10(9)6-12/h8-11,13H,2-7H2,1H3.
What are the key properties of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol?
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol has a molecular weight of 184.28 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 115872857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).