N-tert-butyl-2-oxocyclopentane-1-carboxamide

C10H17NO2 — CID 66612893

IUPACN-tert-butyl-2-oxocyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCC1=O
InChIInChI=1S/C10H17NO2/c1-10(2,3)11-9(13)7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyAPYCLFZIHNNHEI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds1

About N-tert-butyl-2-oxocyclopentane-1-carboxamide

N-tert-butyl-2-oxocyclopentane-1-carboxamide (PubChem CID 66612893) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-tert-butyl-2-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-oxocyclopentane-1-carboxamide
PubChem CID66612893
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-tert-butyl-2-oxocyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCC1=O
InChIInChI=1S/C10H17NO2/c1-10(2,3)11-9(13)7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyAPYCLFZIHNNHEI-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-tert-butyl-2-oxocyclopentane-1-carboxamide?
The IUPAC name of N-tert-butyl-2-oxocyclopentane-1-carboxamide (CID 66612893) is N-tert-butyl-2-oxocyclopentane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-oxocyclopentane-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-oxocyclopentane-1-carboxamide is CC(C)(C)NC(=O)C1CCCC1=O.
What is the InChIKey of N-tert-butyl-2-oxocyclopentane-1-carboxamide?
The InChIKey is APYCLFZIHNNHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)11-9(13)7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-2-oxocyclopentane-1-carboxamide?
N-tert-butyl-2-oxocyclopentane-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 66612893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).