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

C8H16N2O — CID 129415852

IUPAC[(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCN1C[C@@H]2CNC[C@@]2(CO)C1
InChIInChI=1S/C8H16N2O/c1-10-3-7-2-9-4-8(7,5-10)6-11/h7,9,11H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeySUJPKUUEKOHKEE-YUMQZZPRSA-N
MW156.23 g/mol
LogP-0.87
Rot. Bonds1

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

[(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 129415852) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is [(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID129415852
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name[(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCN1C[C@@H]2CNC[C@@]2(CO)C1
InChIInChI=1S/C8H16N2O/c1-10-3-7-2-9-4-8(7,5-10)6-11/h7,9,11H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeySUJPKUUEKOHKEE-YUMQZZPRSA-N
XLogP-0.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-{[(3aR,6aS)-hexahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl}dimethylamine
CID 137963733
[6a-(Trifluoromethyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 165756268
(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol
CID 164680698
[3-Fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 120905738
[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
N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine
CID 19960981
N,N-Dimethyl-1-(tetrahydro-1H-furo[3,4-c]pyrrol-3a(3H)-yl)methanamine
CID 19960995
1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine
CID 19960998
N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine
CID 58904753
[(3R)-4-(diethylaminomethyl)pyrrolidin-3-yl]methanol
CID 59923075

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 129415852) is [(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol is CN1C[C@@H]2CNC[C@@]2(CO)C1.
What is the InChIKey of [(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is SUJPKUUEKOHKEE-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-3-7-2-9-4-8(7,5-10)6-11/h7,9,11H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of [(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
[(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 156.23 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 129415852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).