1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide

C12H22N2O2 — CID 66867937

IUPAC1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide
SMILESCC1CC(C)(C(N)=O)C(C)(C(N)=O)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-7-6-11(4,8(13)15)12(5,9(14)16)10(7,2)3/h7H,6H2,1-5H3,(H2,13,15)(H2,14,16)
InChIKeyIGKVRAHEMZPJTB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.04
Rot. Bonds2

About 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide

1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide (PubChem CID 66867937) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide
PubChem CID66867937
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide
SMILESCC1CC(C)(C(N)=O)C(C)(C(N)=O)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-7-6-11(4,8(13)15)12(5,9(14)16)10(7,2)3/h7H,6H2,1-5H3,(H2,13,15)(H2,14,16)
InChIKeyIGKVRAHEMZPJTB-UHFFFAOYSA-N
XLogP1.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide?
The IUPAC name of 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide (CID 66867937) is 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide.
What is the SMILES notation for 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide?
The canonical SMILES for 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide is CC1CC(C)(C(N)=O)C(C)(C(N)=O)C1(C)C.
What is the InChIKey of 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide?
The InChIKey is IGKVRAHEMZPJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-7-6-11(4,8(13)15)12(5,9(14)16)10(7,2)3/h7H,6H2,1-5H3,(H2,13,15)(H2,14,16).
What are the key properties of 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide?
1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 66867937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).