2,3-dimethyl-N-prop-2-enylbutanamide

C9H17NO — CID 22946325

IUPAC2,3-dimethyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)C(C)C
InChIInChI=1S/C9H17NO/c1-5-6-10-9(11)8(4)7(2)3/h5,7-8H,1,6H2,2-4H3,(H,10,11)
InChIKeyMMZODYCAOYSILF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.58
Rot. Bonds4

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

2,3-dimethyl-N-prop-2-enylbutanamide (PubChem CID 22946325) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,3-dimethyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2,3-dimethyl-N-prop-2-enylbutanamide
PubChem CID22946325
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,3-dimethyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)C(C)C
InChIInChI=1S/C9H17NO/c1-5-6-10-9(11)8(4)7(2)3/h5,7-8H,1,6H2,2-4H3,(H,10,11)
InChIKeyMMZODYCAOYSILF-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.58
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 2,3-dimethyl-N-prop-2-enylbutanamide?
The IUPAC name of 2,3-dimethyl-N-prop-2-enylbutanamide (CID 22946325) is 2,3-dimethyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2,3-dimethyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2,3-dimethyl-N-prop-2-enylbutanamide is C=CCNC(=O)C(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-prop-2-enylbutanamide?
The InChIKey is MMZODYCAOYSILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-10-9(11)8(4)7(2)3/h5,7-8H,1,6H2,2-4H3,(H,10,11).
What are the key properties of 2,3-dimethyl-N-prop-2-enylbutanamide?
2,3-dimethyl-N-prop-2-enylbutanamide has a molecular weight of 155.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 22946325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).