2,2,3-trimethyl-N-prop-2-enylbutanamide

C10H19NO — CID 129176718

IUPAC2,2,3-trimethyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C)C(C)C
InChIInChI=1S/C10H19NO/c1-6-7-11-9(12)10(4,5)8(2)3/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyMENGMAYJPJJIOS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.97
Rot. Bonds4

About 2,2,3-trimethyl-N-prop-2-enylbutanamide

2,2,3-trimethyl-N-prop-2-enylbutanamide (PubChem CID 129176718) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2,2,3-trimethyl-N-prop-2-enylbutanamide
PubChem CID129176718
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2,3-trimethyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C)C(C)C
InChIInChI=1S/C10H19NO/c1-6-7-11-9(12)10(4,5)8(2)3/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyMENGMAYJPJJIOS-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-prop-2-enylbutanamide?
The IUPAC name of 2,2,3-trimethyl-N-prop-2-enylbutanamide (CID 129176718) is 2,2,3-trimethyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2,2,3-trimethyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2,2,3-trimethyl-N-prop-2-enylbutanamide is C=CCNC(=O)C(C)(C)C(C)C.
What is the InChIKey of 2,2,3-trimethyl-N-prop-2-enylbutanamide?
The InChIKey is MENGMAYJPJJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-7-11-9(12)10(4,5)8(2)3/h6,8H,1,7H2,2-5H3,(H,11,12).
What are the key properties of 2,2,3-trimethyl-N-prop-2-enylbutanamide?
2,2,3-trimethyl-N-prop-2-enylbutanamide has a molecular weight of 169.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 129176718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).