(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C14H26N2O — CID 146201415

IUPAC(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)N1C[C@H]2CN(CC3(C)COC3)C[C@H]2C1
InChIInChI=1S/C14H26N2O/c1-11(2)16-6-12-4-15(5-13(12)7-16)8-14(3)9-17-10-14/h11-13H,4-10H2,1-3H3/t12-,13+
InChIKeyWFWQZZCXRVFFGU-BETUJISGSA-N
MW238.37 g/mol
LogP1.29
Rot. Bonds3

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

(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 146201415) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID146201415
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)N1C[C@H]2CN(CC3(C)COC3)C[C@H]2C1
InChIInChI=1S/C14H26N2O/c1-11(2)16-6-12-4-15(5-13(12)7-16)8-14(3)9-17-10-14/h11-13H,4-10H2,1-3H3/t12-,13+
InChIKeyWFWQZZCXRVFFGU-BETUJISGSA-N
XLogP1.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 144962853
1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine
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2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
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5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
1-iodo-4-[(3-methyloxetan-3-yl)methyl]piperazine
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methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288
5-(2-methylpropyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 146572479
3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 144899570
5-propan-2-yl-2-(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167418012

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 146201415) is (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C)N1C[C@H]2CN(CC3(C)COC3)C[C@H]2C1.
What is the InChIKey of (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is WFWQZZCXRVFFGU-BETUJISGSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)16-6-12-4-15(5-13(12)7-16)8-14(3)9-17-10-14/h11-13H,4-10H2,1-3H3/t12-,13+.
What are the key properties of (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 238.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 146201415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).