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

C15H32N2O — CID 178038334

IUPACethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol
SMILESC.CC.CN1CC2CN(CC3(CO)CC3)CC2C1
InChIInChI=1S/C12H22N2O.C2H6.CH4/c1-13-4-10-6-14(7-11(10)5-13)8-12(9-15)2-3-12;1-2;/h10-11,15H,2-9H2,1H3;1-2H3;1H4
InChIKeyTYDUNAPWGJRAFJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP1.91
Rot. Bonds3

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

ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol (PubChem CID 178038334) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Nameethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol
PubChem CID178038334
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Nameethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol
SMILESC.CC.CN1CC2CN(CC3(CO)CC3)CC2C1
InChIInChI=1S/C12H22N2O.C2H6.CH4/c1-13-4-10-6-14(7-11(10)5-13)8-12(9-15)2-3-12;1-2;/h10-11,15H,2-9H2,1H3;1-2H3;1H4
InChIKeyTYDUNAPWGJRAFJ-UHFFFAOYSA-N
XLogP1.91
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 51.91
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
5-[[1-(Ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 174181870
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
1-[2-[[1-(Hydroxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 169228921

Frequently Asked Questions

What is the IUPAC name of ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol?
The IUPAC name of ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol (CID 178038334) is ethane;methane;[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 ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol is C.CC.CN1CC2CN(CC3(CO)CC3)CC2C1.
What is the InChIKey of ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol?
The InChIKey is TYDUNAPWGJRAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C2H6.CH4/c1-13-4-10-6-14(7-11(10)5-13)8-12(9-15)2-3-12;1-2;/h10-11,15H,2-9H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol?
ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol has a molecular weight of 256.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 178038334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).