N-tert-butyl-4-methylpenta-2,3-dienamide

C10H17NO — CID 130006646

IUPACN-tert-butyl-4-methylpenta-2,3-dienamide
SMILESCC(C)=C=CC(=O)NC(C)(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-7-9(12)11-10(3,4)5/h7H,1-5H3,(H,11,12)
InChIKeyUBZRNOLVCMSSBQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.02
Rot. Bonds1

About N-tert-butyl-4-methylpenta-2,3-dienamide

N-tert-butyl-4-methylpenta-2,3-dienamide (PubChem CID 130006646) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-tert-butyl-4-methylpenta-2,3-dienamide.

Molecular Properties

Compound NameN-tert-butyl-4-methylpenta-2,3-dienamide
PubChem CID130006646
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-tert-butyl-4-methylpenta-2,3-dienamide
SMILESCC(C)=C=CC(=O)NC(C)(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-7-9(12)11-10(3,4)5/h7H,1-5H3,(H,11,12)
InChIKeyUBZRNOLVCMSSBQ-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.02
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-butyl-4-methylpenta-2,3-dienamide?
The IUPAC name of N-tert-butyl-4-methylpenta-2,3-dienamide (CID 130006646) is N-tert-butyl-4-methylpenta-2,3-dienamide.
What is the SMILES notation for N-tert-butyl-4-methylpenta-2,3-dienamide?
The canonical SMILES for N-tert-butyl-4-methylpenta-2,3-dienamide is CC(C)=C=CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methylpenta-2,3-dienamide?
The InChIKey is UBZRNOLVCMSSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)6-7-9(12)11-10(3,4)5/h7H,1-5H3,(H,11,12).
What are the key properties of N-tert-butyl-4-methylpenta-2,3-dienamide?
N-tert-butyl-4-methylpenta-2,3-dienamide has a molecular weight of 167.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylpenta-2,3-dienamide is sourced from PubChem (CID 130006646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).