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

C11H18N2O — CID 141370243

IUPACN,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC1=CC2CN(C(=O)N(C)C)CC2C1
InChIInChI=1S/C11H18N2O/c1-8-4-9-6-13(7-10(9)5-8)11(14)12(2)3/h4,9-10H,5-7H2,1-3H3
InChIKeyXFNRODSKSCVOGK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.57
Rot. Bonds

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

N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 141370243) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID141370243
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC1=CC2CN(C(=O)N(C)C)CC2C1
InChIInChI=1S/C11H18N2O/c1-8-4-9-6-13(7-10(9)5-8)11(14)12(2)3/h4,9-10H,5-7H2,1-3H3
InChIKeyXFNRODSKSCVOGK-UHFFFAOYSA-N
XLogP1.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 141370243) is N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CC1=CC2CN(C(=O)N(C)C)CC2C1.
What is the InChIKey of N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is XFNRODSKSCVOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-4-9-6-13(7-10(9)5-8)11(14)12(2)3/h4,9-10H,5-7H2,1-3H3.
What are the key properties of N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 141370243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).