2-methylhex-2-en-4-ynamide

C7H9NO — CID 54317013

IUPAC2-methylhex-2-en-4-ynamide
SMILESCC#CC=C(C)C(N)=O
InChIInChI=1S/C7H9NO/c1-3-4-5-6(2)7(8)9/h5H,1-2H3,(H2,8,9)
InChIKeyVEHKVIGSHJFZBW-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.44
Rot. Bonds1

About 2-methylhex-2-en-4-ynamide

2-methylhex-2-en-4-ynamide (PubChem CID 54317013) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-methylhex-2-en-4-ynamide.

Molecular Properties

Compound Name2-methylhex-2-en-4-ynamide
PubChem CID54317013
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-methylhex-2-en-4-ynamide
SMILESCC#CC=C(C)C(N)=O
InChIInChI=1S/C7H9NO/c1-3-4-5-6(2)7(8)9/h5H,1-2H3,(H2,8,9)
InChIKeyVEHKVIGSHJFZBW-UHFFFAOYSA-N
XLogP0.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-methylhept-3-en-5-yn-2-one
CID 71436521
3-(carbamoylamino)-2-methylprop-2-enamide
CID 87367732
3-fluoro-2-methylprop-2-enamide
CID 140678662
dimethyl 2-but-2-ynylidenepropanedioate
CID 162368563
2-methylpent-2-enamide
CID 66895957
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
CID 143679852
3-aminobut-2-enoic acid;hex-2-en-4-yne
CID 173356677
azanium 4-amino-3-methyl-4-oxobut-2-enoate
CID 57371237
(Z)-4-cyano-2-methylpent-2-enamide
CID 141223606
acetamide
CID 139024037
5,5,5-trihydroxy-2-methylpent-2-enamide
CID 173294065
(2E)-4-chloro-2-methylpenta-2,4-dienamide
CID 88966274

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-2-en-4-ynamide?
The IUPAC name of 2-methylhex-2-en-4-ynamide (CID 54317013) is 2-methylhex-2-en-4-ynamide.
What is the SMILES notation for 2-methylhex-2-en-4-ynamide?
The canonical SMILES for 2-methylhex-2-en-4-ynamide is CC#CC=C(C)C(N)=O.
What is the InChIKey of 2-methylhex-2-en-4-ynamide?
The InChIKey is VEHKVIGSHJFZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-4-5-6(2)7(8)9/h5H,1-2H3,(H2,8,9).
What are the key properties of 2-methylhex-2-en-4-ynamide?
2-methylhex-2-en-4-ynamide has a molecular weight of 123.15 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-2-en-4-ynamide is sourced from PubChem (CID 54317013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).