N-tert-butylbuta-2,3-dienamide

C8H13NO — CID 11378533

IUPACN-tert-butylbuta-2,3-dienamide
SMILESC=C=CC(=O)NC(C)(C)C
InChIInChI=1S/C8H13NO/c1-5-6-7(10)9-8(2,3)4/h6H,1H2,2-4H3,(H,9,10)
InChIKeyLDEOPGIUCDHRHW-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.24
Rot. Bonds1

About N-tert-butylbuta-2,3-dienamide

N-tert-butylbuta-2,3-dienamide (PubChem CID 11378533) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-tert-butylbuta-2,3-dienamide.

Molecular Properties

Compound NameN-tert-butylbuta-2,3-dienamide
PubChem CID11378533
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-tert-butylbuta-2,3-dienamide
SMILESC=C=CC(=O)NC(C)(C)C
InChIInChI=1S/C8H13NO/c1-5-6-7(10)9-8(2,3)4/h6H,1H2,2-4H3,(H,9,10)
InChIKeyLDEOPGIUCDHRHW-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butylbuta-2,3-dienamide?
The IUPAC name of N-tert-butylbuta-2,3-dienamide (CID 11378533) is N-tert-butylbuta-2,3-dienamide.
What is the SMILES notation for N-tert-butylbuta-2,3-dienamide?
The canonical SMILES for N-tert-butylbuta-2,3-dienamide is C=C=CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylbuta-2,3-dienamide?
The InChIKey is LDEOPGIUCDHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-6-7(10)9-8(2,3)4/h6H,1H2,2-4H3,(H,9,10).
What are the key properties of N-tert-butylbuta-2,3-dienamide?
N-tert-butylbuta-2,3-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbuta-2,3-dienamide is sourced from PubChem (CID 11378533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).