N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide

C10H16N2O2 — CID 87462651

IUPACN-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide
SMILESCON(C)C(=O)C1=CC2CNCC2C1
InChIInChI=1S/C10H16N2O2/c1-12(14-2)10(13)7-3-8-5-11-6-9(8)4-7/h3,8-9,11H,4-6H2,1-2H3
InChIKeyKGEJSNYLZUNEKU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.17
Rot. Bonds2

About N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide

N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide (PubChem CID 87462651) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide
PubChem CID87462651
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide
SMILESCON(C)C(=O)C1=CC2CNCC2C1
InChIInChI=1S/C10H16N2O2/c1-12(14-2)10(13)7-3-8-5-11-6-9(8)4-7/h3,8-9,11H,4-6H2,1-2H3
InChIKeyKGEJSNYLZUNEKU-UHFFFAOYSA-N
XLogP0.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide (CID 87462651) is N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide is CON(C)C(=O)C1=CC2CNCC2C1.
What is the InChIKey of N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide?
The InChIKey is KGEJSNYLZUNEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12(14-2)10(13)7-3-8-5-11-6-9(8)4-7/h3,8-9,11H,4-6H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide?
N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide is sourced from PubChem (CID 87462651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).