[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol

C12H22N2O — CID 178038335

IUPAC[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol
SMILESCN1CC2CN(CC3(CO)CC3)CC2C1
InChIInChI=1S/C12H22N2O/c1-13-4-10-6-14(7-11(10)5-13)8-12(9-15)2-3-12/h10-11,15H,2-9H2,1H3
InChIKeyXSEQOSDPQSZNSH-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.25
Rot. Bonds3

About [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol

[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol (PubChem CID 178038335) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol
PubChem CID178038335
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol
SMILESCN1CC2CN(CC3(CO)CC3)CC2C1
InChIInChI=1S/C12H22N2O/c1-13-4-10-6-14(7-11(10)5-13)8-12(9-15)2-3-12/h10-11,15H,2-9H2,1H3
InChIKeyXSEQOSDPQSZNSH-UHFFFAOYSA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol
CID 164680698
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
1-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
CID 126735777
3-(2,3a,6a-Trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane
CID 142385991
Ethane;3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
CID 144962724
3-[(3aR,6aS)-5-iodo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 155472504
Ethane;1-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 169228920
1-[[Tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl]methyl]cyclopropylmethanol
CID 170356960
(1-(((3AR,6aR)-tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl)methyl)cyclopropyl)methanol
CID 170676285
2-Methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170676442

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol (CID 178038335) is [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol is CN1CC2CN(CC3(CO)CC3)CC2C1.
What is the InChIKey of [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol?
The InChIKey is XSEQOSDPQSZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-4-10-6-14(7-11(10)5-13)8-12(9-15)2-3-12/h10-11,15H,2-9H2,1H3.
What are the key properties of [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol?
[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol has a molecular weight of 210.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 178038335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).