(3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C10H19NO — CID 134400253

IUPAC(3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCOC[C@@H]1CC[C@H]2CN(C)C[C@H]12
InChIInChI=1S/C10H19NO/c1-11-5-8-3-4-9(7-12-2)10(8)6-11/h8-10H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyXFAOCSNNIBARQA-GUBZILKMSA-N
MW169.27 g/mol
LogP1.22
Rot. Bonds2

About (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 134400253) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID134400253
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCOC[C@@H]1CC[C@H]2CN(C)C[C@H]12
InChIInChI=1S/C10H19NO/c1-11-5-8-3-4-9(7-12-2)10(8)6-11/h8-10H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyXFAOCSNNIBARQA-GUBZILKMSA-N
XLogP1.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134400428
(3R,4R)-4-(methoxymethyl)-1-methylpyrrolidin-3-ol
CID 140507745
3-(methoxymethyl)-1,4-dimethylpiperidine
CID 170079512
N,2-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 122435320
4-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 154980100
3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane
CID 91585358
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane
CID 177032468
(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 164921904
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 134400253) is (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is COC[C@@H]1CC[C@H]2CN(C)C[C@H]12.
What is the InChIKey of (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is XFAOCSNNIBARQA-GUBZILKMSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-5-8-3-4-9(7-12-2)10(8)6-11/h8-10H,3-7H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 169.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 134400253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).