(3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C9H17NO — CID 163632436

IUPAC(3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCOCC1NCC2CCC[C@H]21
InChIInChI=1S/C9H17NO/c1-11-6-9-8-4-2-3-7(8)5-10-9/h7-10H,2-6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyHXHGAYDNRGQKAS-QJAFJHJLSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds2

About (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

(3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 163632436) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID163632436
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCOCC1NCC2CCC[C@H]21
InChIInChI=1S/C9H17NO/c1-11-6-9-8-4-2-3-7(8)5-10-9/h7-10H,2-6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyHXHGAYDNRGQKAS-QJAFJHJLSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 163632436) is (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is COCC1NCC2CCC[C@H]21.
What is the InChIKey of (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is HXHGAYDNRGQKAS-QJAFJHJLSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-6-9-8-4-2-3-7(8)5-10-9/h7-10H,2-6H2,1H3/t7?,8-,9?/m1/s1.
What are the key properties of (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
(3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 155.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 163632436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).