N-tert-butylcyclobutene-1-carboxamide

C9H15NO — CID 126994728

IUPACN-tert-butylcyclobutene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCC1
InChIInChI=1S/C9H15NO/c1-9(2,3)10-8(11)7-5-4-6-7/h5H,4,6H2,1-3H3,(H,10,11)
InChIKeyZQWLTKNLWQNMCS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds1

About N-tert-butylcyclobutene-1-carboxamide

N-tert-butylcyclobutene-1-carboxamide (PubChem CID 126994728) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-tert-butylcyclobutene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butylcyclobutene-1-carboxamide
PubChem CID126994728
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-tert-butylcyclobutene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCC1
InChIInChI=1S/C9H15NO/c1-9(2,3)10-8(11)7-5-4-6-7/h5H,4,6H2,1-3H3,(H,10,11)
InChIKeyZQWLTKNLWQNMCS-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclobutene-1-carboxamide?
The IUPAC name of N-tert-butylcyclobutene-1-carboxamide (CID 126994728) is N-tert-butylcyclobutene-1-carboxamide.
What is the SMILES notation for N-tert-butylcyclobutene-1-carboxamide?
The canonical SMILES for N-tert-butylcyclobutene-1-carboxamide is CC(C)(C)NC(=O)C1=CCC1.
What is the InChIKey of N-tert-butylcyclobutene-1-carboxamide?
The InChIKey is ZQWLTKNLWQNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)10-8(11)7-5-4-6-7/h5H,4,6H2,1-3H3,(H,10,11).
What are the key properties of N-tert-butylcyclobutene-1-carboxamide?
N-tert-butylcyclobutene-1-carboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclobutene-1-carboxamide is sourced from PubChem (CID 126994728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).