(3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide

C9H16N2O — CID 59403312

IUPAC(3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide
SMILESCNC(=O)C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H16N2O/c1-10-9(12)6-2-7-4-11-5-8(7)3-6/h6-8,11H,2-5H2,1H3,(H,10,12)/t6?,7-,8+
InChIKeyZBCPFWOYXGGVNU-IEESLHIDSA-N
MW168.24 g/mol
LogP-0.02
Rot. Bonds1

About (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide

(3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide (PubChem CID 59403312) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide
PubChem CID59403312
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide
SMILESCNC(=O)C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H16N2O/c1-10-9(12)6-2-7-4-11-5-8(7)3-6/h6-8,11H,2-5H2,1H3,(H,10,12)/t6?,7-,8+
InChIKeyZBCPFWOYXGGVNU-IEESLHIDSA-N
XLogP-0.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide?
The IUPAC name of (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide (CID 59403312) is (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide is CNC(=O)C1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide?
The InChIKey is ZBCPFWOYXGGVNU-IEESLHIDSA-N. The full InChI is InChI=1S/C9H16N2O/c1-10-9(12)6-2-7-4-11-5-8(7)3-6/h6-8,11H,2-5H2,1H3,(H,10,12)/t6?,7-,8+.
What are the key properties of (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide?
(3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide has a molecular weight of 168.24 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide is sourced from PubChem (CID 59403312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).