6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole

C15H21NO — CID 69173638

IUPAC6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole
SMILESCC12CCCOC1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H21NO/c1-15-8-5-9-17-14(15)11-16(12-15)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyPNUCAJBYKPBDNH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds2

About 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole

6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole (PubChem CID 69173638) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole.

Molecular Properties

Compound Name6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole
PubChem CID69173638
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole
SMILESCC12CCCOC1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H21NO/c1-15-8-5-9-17-14(15)11-16(12-15)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyPNUCAJBYKPBDNH-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
(3aS,6aS)-5-benzyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 125461885
2-benzyl-6,7-dichloro-3a-methyl-3,4,5,9b-tetrahydro-1H-benzo[e]isoindole
CID 67136019
(3aS,9bS)-2-benzyl-6,7-dichloro-3a-methyl-3,4,5,9b-tetrahydro-1H-benzo[e]isoindole
CID 70665189
(3aR,9bR)-2-benzyl-6,7-dichloro-3a-methyl-3,4,5,9b-tetrahydro-1H-benzo[e]isoindole
CID 67136020
(3aS,9bR)-2-benzyl-6-cyclopropyl-3a-methyl-3,4,5,9b-tetrahydro-1H-benzo[e]isoindole
CID 70664536
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-chloro-3-ethylazetidine
CID 135395939
2-benzyl-6-(difluoromethyl)-3a-methyl-3,4,5,9b-tetrahydro-1H-benzo[e]isoindole
CID 70664657

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole?
The IUPAC name of 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole (CID 69173638) is 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole.
What is the SMILES notation for 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole?
The canonical SMILES for 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole is CC12CCCOC1CN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole?
The InChIKey is PNUCAJBYKPBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15-8-5-9-17-14(15)11-16(12-15)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3.
What are the key properties of 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole?
6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole has a molecular weight of 231.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4a-methyl-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole is sourced from PubChem (CID 69173638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).