N-tert-butylprop-2-enamide;prop-1-ene

C10H19NO — CID 54226985

IUPACN-tert-butylprop-2-enamide;prop-1-ene
SMILESC=CC.C=CC(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO.C3H6/c1-5-6(9)8-7(2,3)4;1-3-2/h5H,1H2,2-4H3,(H,8,9);3H,1H2,2H3
InChIKeyQGNMALBXOQYRMX-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.28
Rot. Bonds1

About N-tert-butylprop-2-enamide;prop-1-ene

N-tert-butylprop-2-enamide;prop-1-ene (PubChem CID 54226985) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-tert-butylprop-2-enamide;prop-1-ene.

Molecular Properties

Compound NameN-tert-butylprop-2-enamide;prop-1-ene
PubChem CID54226985
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-tert-butylprop-2-enamide;prop-1-ene
SMILESC=CC.C=CC(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO.C3H6/c1-5-6(9)8-7(2,3)4;1-3-2/h5H,1H2,2-4H3,(H,8,9);3H,1H2,2H3
InChIKeyQGNMALBXOQYRMX-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-1-ene?
The IUPAC name of N-tert-butylprop-2-enamide;prop-1-ene (CID 54226985) is N-tert-butylprop-2-enamide;prop-1-ene.
What is the SMILES notation for N-tert-butylprop-2-enamide;prop-1-ene?
The canonical SMILES for N-tert-butylprop-2-enamide;prop-1-ene is C=CC.C=CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylprop-2-enamide;prop-1-ene?
The InChIKey is QGNMALBXOQYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C3H6/c1-5-6(9)8-7(2,3)4;1-3-2/h5H,1H2,2-4H3,(H,8,9);3H,1H2,2H3.
What are the key properties of N-tert-butylprop-2-enamide;prop-1-ene?
N-tert-butylprop-2-enamide;prop-1-ene has a molecular weight of 169.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylprop-2-enamide;prop-1-ene is sourced from PubChem (CID 54226985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).