N-tert-butylbut-2-enamide

C8H15NO — CID 54077177

IUPACN-tert-butylbut-2-enamide
SMILESCC=CC(=O)NC(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-6-7(10)9-8(2,3)4/h5-6H,1-4H3,(H,9,10)
InChIKeyMKNFUPBPNVFSGF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds1

About N-tert-butylbut-2-enamide

N-tert-butylbut-2-enamide (PubChem CID 54077177) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-tert-butylbut-2-enamide.

Molecular Properties

Compound NameN-tert-butylbut-2-enamide
PubChem CID54077177
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-tert-butylbut-2-enamide
SMILESCC=CC(=O)NC(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-6-7(10)9-8(2,3)4/h5-6H,1-4H3,(H,9,10)
InChIKeyMKNFUPBPNVFSGF-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
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

CID 7877
CID 7877
CID 11435003
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CID 17803426
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CID 11378533
CID 11378533
CID 86584088
CID 86584088
CID 167349982
CID 167349982
CID 167350051
CID 167350051
CID 15544417
CID 15544417
CID 22743379
CID 22743379
CID 13584878
CID 13584878
CID 103750254
CID 103750254
CID 131246205
CID 131246205

Frequently Asked Questions

What is the IUPAC name of N-tert-butylbut-2-enamide?
The IUPAC name of N-tert-butylbut-2-enamide (CID 54077177) is N-tert-butylbut-2-enamide.
What is the SMILES notation for N-tert-butylbut-2-enamide?
The canonical SMILES for N-tert-butylbut-2-enamide is CC=CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylbut-2-enamide?
The InChIKey is MKNFUPBPNVFSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-6-7(10)9-8(2,3)4/h5-6H,1-4H3,(H,9,10).
What are the key properties of N-tert-butylbut-2-enamide?
N-tert-butylbut-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbut-2-enamide is sourced from PubChem (CID 54077177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).