N-cyclobutyl-3-methylbut-2-enamide

C9H15NO — CID 58065320

IUPACN-cyclobutyl-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC1
InChIInChI=1S/C9H15NO/c1-7(2)6-9(11)10-8-4-3-5-8/h6,8H,3-5H2,1-2H3,(H,10,11)
InChIKeySZMPRFSQQUHCGZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds2

About N-cyclobutyl-3-methylbut-2-enamide

N-cyclobutyl-3-methylbut-2-enamide (PubChem CID 58065320) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-cyclobutyl-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-cyclobutyl-3-methylbut-2-enamide
PubChem CID58065320
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-cyclobutyl-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC1
InChIInChI=1S/C9H15NO/c1-7(2)6-9(11)10-8-4-3-5-8/h6,8H,3-5H2,1-2H3,(H,10,11)
InChIKeySZMPRFSQQUHCGZ-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-methylbut-2-enamide?
The IUPAC name of N-cyclobutyl-3-methylbut-2-enamide (CID 58065320) is N-cyclobutyl-3-methylbut-2-enamide.
What is the SMILES notation for N-cyclobutyl-3-methylbut-2-enamide?
The canonical SMILES for N-cyclobutyl-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-3-methylbut-2-enamide?
The InChIKey is SZMPRFSQQUHCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)6-9(11)10-8-4-3-5-8/h6,8H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-cyclobutyl-3-methylbut-2-enamide?
N-cyclobutyl-3-methylbut-2-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-methylbut-2-enamide is sourced from PubChem (CID 58065320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).