1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide

C10H14N4O2 — CID 68973918

IUPAC1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)Nc2ncc[nH]2)CCCC1
InChIInChI=1S/C10H14N4O2/c11-7(15)10(3-1-2-4-10)8(16)14-9-12-5-6-13-9/h5-6H,1-4H2,(H2,11,15)(H2,12,13,14,16)
InChIKeyJSDALYMFIBELDQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.39
Rot. Bonds3

About 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide

1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide (PubChem CID 68973918) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide
PubChem CID68973918
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)Nc2ncc[nH]2)CCCC1
InChIInChI=1S/C10H14N4O2/c11-7(15)10(3-1-2-4-10)8(16)14-9-12-5-6-13-9/h5-6H,1-4H2,(H2,11,15)(H2,12,13,14,16)
InChIKeyJSDALYMFIBELDQ-UHFFFAOYSA-N
XLogP0.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide (CID 68973918) is 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide is NC(=O)C1(C(=O)Nc2ncc[nH]2)CCCC1.
What is the InChIKey of 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide?
The InChIKey is JSDALYMFIBELDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-7(15)10(3-1-2-4-10)8(16)14-9-12-5-6-13-9/h5-6H,1-4H2,(H2,11,15)(H2,12,13,14,16).
What are the key properties of 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide?
1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide has a molecular weight of 222.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1H-imidazol-2-yl)cyclopentane-1,1-dicarboxamide is sourced from PubChem (CID 68973918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).