5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C11H15N3O — CID 91325181

IUPAC5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1CC2C=C(C#N)CC2C1
InChIInChI=1S/C11H15N3O/c1-13(2)11(15)14-6-9-3-8(5-12)4-10(9)7-14/h3,9-10H,4,6-7H2,1-2H3
InChIKeyVGWIOVKZKAJGNU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.07
Rot. Bonds

About 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 91325181) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID91325181
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1CC2C=C(C#N)CC2C1
InChIInChI=1S/C11H15N3O/c1-13(2)11(15)14-6-9-3-8(5-12)4-10(9)7-14/h3,9-10H,4,6-7H2,1-2H3
InChIKeyVGWIOVKZKAJGNU-UHFFFAOYSA-N
XLogP1.07
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 91325181) is 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CN(C)C(=O)N1CC2C=C(C#N)CC2C1.
What is the InChIKey of 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is VGWIOVKZKAJGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13(2)11(15)14-6-9-3-8(5-12)4-10(9)7-14/h3,9-10H,4,6-7H2,1-2H3.
What are the key properties of 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N,N-dimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 91325181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).