4-methyl-2-propan-2-ylidenepent-3-enamide

C9H15NO — CID 24977608

IUPAC4-methyl-2-propan-2-ylidenepent-3-enamide
SMILESCC(C)=CC(C(N)=O)=C(C)C
InChIInChI=1S/C9H15NO/c1-6(2)5-8(7(3)4)9(10)11/h5H,1-4H3,(H2,10,11)
InChIKeyDCVBLPFIXUOBBY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.77
Rot. Bonds2

About 4-methyl-2-propan-2-ylidenepent-3-enamide

4-methyl-2-propan-2-ylidenepent-3-enamide (PubChem CID 24977608) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylidenepent-3-enamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylidenepent-3-enamide
PubChem CID24977608
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methyl-2-propan-2-ylidenepent-3-enamide
SMILESCC(C)=CC(C(N)=O)=C(C)C
InChIInChI=1S/C9H15NO/c1-6(2)5-8(7(3)4)9(10)11/h5H,1-4H3,(H2,10,11)
InChIKeyDCVBLPFIXUOBBY-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Ethylhexa-2,4-dienamide
CID 146360
FR 900411
CID 6439896
Diethylmethacrylamide
CID 21954359
Diethylacrylamide
CID 24840945
Methylene-bis-methacrylamide
CID 53429786
Isopropylmethacrylamide
CID 54004204
Propylmethacrylamide
CID 69117784
t-Butylmethacrylamide
CID 70145728
alpha-Ethyl-beta-propylacrylic amide
CID 17903377
(Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide
CID 89044295
(2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide
CID 89361955
2-Methyl-4-(trifluoromethyl)penta-2,4-dienamide
CID 123576373

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-ylidenepent-3-enamide?
The IUPAC name of 4-methyl-2-propan-2-ylidenepent-3-enamide (CID 24977608) is 4-methyl-2-propan-2-ylidenepent-3-enamide.
What is the SMILES notation for 4-methyl-2-propan-2-ylidenepent-3-enamide?
The canonical SMILES for 4-methyl-2-propan-2-ylidenepent-3-enamide is CC(C)=CC(C(N)=O)=C(C)C.
What is the InChIKey of 4-methyl-2-propan-2-ylidenepent-3-enamide?
The InChIKey is DCVBLPFIXUOBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)5-8(7(3)4)9(10)11/h5H,1-4H3,(H2,10,11).
What are the key properties of 4-methyl-2-propan-2-ylidenepent-3-enamide?
4-methyl-2-propan-2-ylidenepent-3-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylidenepent-3-enamide is sourced from PubChem (CID 24977608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).