N-tert-butylprop-2-enamide

C7H13NO — CID 7877

IUPACN-tert-butylprop-2-enamide
SMILESC=CC(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
InChIKeyXFHJDMUEHUHAJW-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds1

About N-tert-butylprop-2-enamide

N-tert-butylprop-2-enamide (PubChem CID 7877) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-tert-butylprop-2-enamide.

Molecular Properties

Compound NameN-tert-butylprop-2-enamide
PubChem CID7877
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-tert-butylprop-2-enamide
SMILESC=CC(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
InChIKeyXFHJDMUEHUHAJW-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
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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Related Compounds

(E)-N-tert-butylbut-2-enamide
CID 11435003
N-(2-Methylbutan-2-yl)prop-2-enamide
CID 17803426
N-tert-butylbuta-2,3-dienamide
CID 11378533
N-t-Butylacrylamide Acrylamide
CID 86584088
N-(3-Ethylpentan-3-yl)prop-2-enamide
CID 19105727
N-(3-methylpentan-3-yl)prop-2-enamide
CID 19105728
N-(2,3-dimethylbutan-2-yl)prop-2-enamide
CID 22556155
N-tert-butyl-2-fluoroprop-2-enamide
CID 123232731
N-(2-fluoropropan-2-yl)prop-2-enamide
CID 155270670
(E)-N-tert-butyl-3-fluoroprop-2-enamide
CID 167349982
N-(1,1-Dimethylpropynyl)acrylamide
CID 578843
(E)-N-tert-butyl-3-chloroprop-2-enamide
CID 13289262

Frequently Asked Questions

What is the IUPAC name of N-tert-butylprop-2-enamide?
The IUPAC name of N-tert-butylprop-2-enamide (CID 7877) is N-tert-butylprop-2-enamide.
What is the SMILES notation for N-tert-butylprop-2-enamide?
The canonical SMILES for N-tert-butylprop-2-enamide is C=CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylprop-2-enamide?
The InChIKey is XFHJDMUEHUHAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9).
What are the key properties of N-tert-butylprop-2-enamide?
N-tert-butylprop-2-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 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 is sourced from PubChem (CID 7877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).