N-tert-butylprop-2-enamide;prop-2-enamide

C10H18N2O2 — CID 86584088

IUPACN-tert-butylprop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C.C=CC(N)=O
InChIInChI=1S/C7H13NO.C3H5NO/c1-5-6(9)8-7(2,3)4;1-2-3(4)5/h5H,1H2,2-4H3,(H,8,9);2H,1H2,(H2,4,5)
InChIKeySKCZEFPIFRBQJP-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.74
Rot. Bonds2

About N-tert-butylprop-2-enamide;prop-2-enamide

N-tert-butylprop-2-enamide;prop-2-enamide (PubChem CID 86584088) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-tert-butylprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN-tert-butylprop-2-enamide;prop-2-enamide
PubChem CID86584088
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-tert-butylprop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C.C=CC(N)=O
InChIInChI=1S/C7H13NO.C3H5NO/c1-5-6(9)8-7(2,3)4;1-2-3(4)5/h5H,1H2,2-4H3,(H,8,9);2H,1H2,(H2,4,5)
InChIKeySKCZEFPIFRBQJP-UHFFFAOYSA-N
XLogP0.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-tert-butylprop-2-enamide;prop-2-enamide?
The IUPAC name of N-tert-butylprop-2-enamide;prop-2-enamide (CID 86584088) is N-tert-butylprop-2-enamide;prop-2-enamide.
What is the SMILES notation for N-tert-butylprop-2-enamide;prop-2-enamide?
The canonical SMILES for N-tert-butylprop-2-enamide;prop-2-enamide is C=CC(=O)NC(C)(C)C.C=CC(N)=O.
What is the InChIKey of N-tert-butylprop-2-enamide;prop-2-enamide?
The InChIKey is SKCZEFPIFRBQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C3H5NO/c1-5-6(9)8-7(2,3)4;1-2-3(4)5/h5H,1H2,2-4H3,(H,8,9);2H,1H2,(H2,4,5).
What are the key properties of N-tert-butylprop-2-enamide;prop-2-enamide?
N-tert-butylprop-2-enamide;prop-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylprop-2-enamide;prop-2-enamide is sourced from PubChem (CID 86584088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).