3,3-dimethyl-2-methylidenepent-4-enamide

C8H13NO — CID 156755250

IUPAC3,3-dimethyl-2-methylidenepent-4-enamide
SMILESC=CC(C)(C)C(=C)C(N)=O
InChIInChI=1S/C8H13NO/c1-5-8(3,4)6(2)7(9)10/h5H,1-2H2,3-4H3,(H2,9,10)
InChIKeyAOJHFRGUBMFCQQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.24
Rot. Bonds3

About 3,3-dimethyl-2-methylidenepent-4-enamide

3,3-dimethyl-2-methylidenepent-4-enamide (PubChem CID 156755250) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidenepent-4-enamide.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidenepent-4-enamide
PubChem CID156755250
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3,3-dimethyl-2-methylidenepent-4-enamide
SMILESC=CC(C)(C)C(=C)C(N)=O
InChIInChI=1S/C8H13NO/c1-5-8(3,4)6(2)7(9)10/h5H,1-2H2,3-4H3,(H2,9,10)
InChIKeyAOJHFRGUBMFCQQ-UHFFFAOYSA-N
XLogP1.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3,5,5-tetramethylhepta-1,6-dien-4-one
CID 14528511
3,3,5,5-tetramethyl-2-methylidenehexanamide
CID 19097995
1,1,1-trifluoro-3,3-dimethylpent-4-en-2-one
CID 89210308
4,4-dimethylhex-5-en-3-one
CID 10986231
ethenol;2-methylprop-2-enamide
CID 87880771
sodium;3-carbamoyl-2,2-dimethylbut-3-ene-1-sulfonic acid;hydride
CID 173022202
3,3,5-trimethyl-2-methylidenehexanamide
CID 139781680
3,3-dimethylpenta-1,4-diene-2-sulfonic acid
CID 123475012
3,3-dimethylbut-1-ene;2-methylprop-2-enoic acid
CID 175316854
2-aminoprop-2-enamide
CID 3332061
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidenepent-4-enamide?
The IUPAC name of 3,3-dimethyl-2-methylidenepent-4-enamide (CID 156755250) is 3,3-dimethyl-2-methylidenepent-4-enamide.
What is the SMILES notation for 3,3-dimethyl-2-methylidenepent-4-enamide?
The canonical SMILES for 3,3-dimethyl-2-methylidenepent-4-enamide is C=CC(C)(C)C(=C)C(N)=O.
What is the InChIKey of 3,3-dimethyl-2-methylidenepent-4-enamide?
The InChIKey is AOJHFRGUBMFCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-8(3,4)6(2)7(9)10/h5H,1-2H2,3-4H3,(H2,9,10).
What are the key properties of 3,3-dimethyl-2-methylidenepent-4-enamide?
3,3-dimethyl-2-methylidenepent-4-enamide has a molecular weight of 139.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidenepent-4-enamide is sourced from PubChem (CID 156755250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).