ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol

C13H30N2O — CID 177194476

IUPACethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol
SMILESCC.CCN1CC2CN(C)CC2(C)C1.CO
InChIInChI=1S/C10H20N2.C2H6.CH4O/c1-4-12-6-9-5-11(3)7-10(9,2)8-12;2*1-2/h9H,4-8H2,1-3H3;1-2H3;2H,1H3
InChIKeyLHMOVWZIQCMBJX-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.52
Rot. Bonds1

About ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol

ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol (PubChem CID 177194476) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol.

Molecular Properties

Compound Nameethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol
PubChem CID177194476
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Nameethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol
SMILESCC.CCN1CC2CN(C)CC2(C)C1.CO
InChIInChI=1S/C10H20N2.C2H6.CH4O/c1-4-12-6-9-5-11(3)7-10(9,2)8-12;2*1-2/h9H,4-8H2,1-3H3;1-2H3;2H,1H3
InChIKeyLHMOVWZIQCMBJX-UHFFFAOYSA-N
XLogP1.52
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol with MolForge

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Related Compounds

3-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol
CID 118534988
2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 126735749
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
2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane
CID 170582010
2-(5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethanol
CID 121185275
2-(3,3-Dimethylbutyl)-5-methyloctahydropyrrolo[3,4-c]pyrrole
CID 121185374
2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol
CID 130637828
2-(2-Ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
CID 131201264
3-(2,3a,6a-Trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
CID 142385992
3-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
CID 144962725

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol?
The IUPAC name of ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol (CID 177194476) is ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol.
What is the SMILES notation for ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol?
The canonical SMILES for ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol is CC.CCN1CC2CN(C)CC2(C)C1.CO.
What is the InChIKey of ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol?
The InChIKey is LHMOVWZIQCMBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2H6.CH4O/c1-4-12-6-9-5-11(3)7-10(9,2)8-12;2*1-2/h9H,4-8H2,1-3H3;1-2H3;2H,1H3.
What are the key properties of ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol?
ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol has a molecular weight of 230.40 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol is sourced from PubChem (CID 177194476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).