N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide

C9H15NO — CID 141170408

IUPACN-(2-methylpropyl)cyclobut-2-ene-1-carboxamide
SMILESCC(C)CNC(=O)C1C=CC1
InChIInChI=1S/C9H15NO/c1-7(2)6-10-9(11)8-4-3-5-8/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)
InChIKeyCMOYYEIROGNLMS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.33
Rot. Bonds3

About N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide

N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide (PubChem CID 141170408) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)cyclobut-2-ene-1-carboxamide
PubChem CID141170408
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(2-methylpropyl)cyclobut-2-ene-1-carboxamide
SMILESCC(C)CNC(=O)C1C=CC1
InChIInChI=1S/C9H15NO/c1-7(2)6-10-9(11)8-4-3-5-8/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)
InChIKeyCMOYYEIROGNLMS-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide (CID 141170408) is N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide is CC(C)CNC(=O)C1C=CC1.
What is the InChIKey of N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide?
The InChIKey is CMOYYEIROGNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)6-10-9(11)8-4-3-5-8/h3-4,7-8H,5-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide?
N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)cyclobut-2-ene-1-carboxamide is sourced from PubChem (CID 141170408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).