N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C12H22N2O — CID 110867876

IUPACN,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)N1CC2CCCC2C1
InChIInChI=1S/C12H22N2O/c1-3-13(4-2)12(15)14-8-10-6-5-7-11(10)9-14/h10-11H,3-9H2,1-2H3
InChIKeyPGYZKXIYTGJZKO-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.18
Rot. Bonds2

About N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 110867876) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID110867876
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)N1CC2CCCC2C1
InChIInChI=1S/C12H22N2O/c1-3-13(4-2)12(15)14-8-10-6-5-7-11(10)9-14/h10-11H,3-9H2,1-2H3
InChIKeyPGYZKXIYTGJZKO-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 110867876) is N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CCN(CC)C(=O)N1CC2CCCC2C1.
What is the InChIKey of N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is PGYZKXIYTGJZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-13(4-2)12(15)14-8-10-6-5-7-11(10)9-14/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 110867876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).