N-tert-butyl-N-(hydroxymethyl)prop-2-enamide

C8H15NO2 — CID 19006731

IUPACN-tert-butyl-N-(hydroxymethyl)prop-2-enamide
SMILESC=CC(=O)N(CO)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(11)9(6-10)8(2,3)4/h5,10H,1,6H2,2-4H3
InChIKeyFWNBAVKIJOHHMY-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.75
Rot. Bonds2

About N-tert-butyl-N-(hydroxymethyl)prop-2-enamide

N-tert-butyl-N-(hydroxymethyl)prop-2-enamide (PubChem CID 19006731) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-tert-butyl-N-(hydroxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-N-(hydroxymethyl)prop-2-enamide
PubChem CID19006731
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-tert-butyl-N-(hydroxymethyl)prop-2-enamide
SMILESC=CC(=O)N(CO)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(11)9(6-10)8(2,3)4/h5,10H,1,6H2,2-4H3
InChIKeyFWNBAVKIJOHHMY-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-butyl-N-(hydroxymethyl)prop-2-enamide?
The IUPAC name of N-tert-butyl-N-(hydroxymethyl)prop-2-enamide (CID 19006731) is N-tert-butyl-N-(hydroxymethyl)prop-2-enamide.
What is the SMILES notation for N-tert-butyl-N-(hydroxymethyl)prop-2-enamide?
The canonical SMILES for N-tert-butyl-N-(hydroxymethyl)prop-2-enamide is C=CC(=O)N(CO)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(hydroxymethyl)prop-2-enamide?
The InChIKey is FWNBAVKIJOHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(11)9(6-10)8(2,3)4/h5,10H,1,6H2,2-4H3.
What are the key properties of N-tert-butyl-N-(hydroxymethyl)prop-2-enamide?
N-tert-butyl-N-(hydroxymethyl)prop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(hydroxymethyl)prop-2-enamide is sourced from PubChem (CID 19006731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).