N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide

C11H17NO — CID 138703081

IUPACN-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide
SMILESC=C/C(C)=C(\C=N\C(C)=O)CCC
InChIInChI=1S/C11H17NO/c1-5-7-11(9(3)6-2)8-12-10(4)13/h6,8H,2,5,7H2,1,3-4H3/b11-9-,12-8+
InChIKeyOTDRZWIQVZNRTG-NFDHXRNHSA-N
MW179.26 g/mol
LogP2.91
Rot. Bonds4

About N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide

N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide (PubChem CID 138703081) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide.

Molecular Properties

Compound NameN-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide
PubChem CID138703081
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide
SMILESC=C/C(C)=C(\C=N\C(C)=O)CCC
InChIInChI=1S/C11H17NO/c1-5-7-11(9(3)6-2)8-12-10(4)13/h6,8H,2,5,7H2,1,3-4H3/b11-9-,12-8+
InChIKeyOTDRZWIQVZNRTG-NFDHXRNHSA-N
XLogP2.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (3E,5Z)-4-methyl-6-(methylideneamino)-3-[[methyl-[1-[[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]amino]propan-2-yl]amino]methyl]hexa-3,5-dienoate
CID 130390212
(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine
CID 145499159
2-acetyliminoacetic acid
CID 131637969
3,4-dimethylocta-1,3-diene
CID 54003351
3-imino-2-(2-methylprop-2-enylideneamino)hept-1-en-4-one
CID 123552704
(2E)-4-oxo-2-propylhexa-2,5-dienal
CID 91538875
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
3-ethylideneoct-1-ene
CID 91511297
(Z)-2-ethenylpent-1-en-1-amine
CID 177188955
N-ethyl-N-hydroxyprop-2-enamide
CID 19022461
1-hydroxyiminopentan-2-one
CID 6410471
(3E)-3,4-dimethylhexa-3,5-dien-2-one
CID 45085191

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide?
The IUPAC name of N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide (CID 138703081) is N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide.
What is the SMILES notation for N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide?
The canonical SMILES for N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide is C=C/C(C)=C(\C=N\C(C)=O)CCC.
What is the InChIKey of N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide?
The InChIKey is OTDRZWIQVZNRTG-NFDHXRNHSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-7-11(9(3)6-2)8-12-10(4)13/h6,8H,2,5,7H2,1,3-4H3/b11-9-,12-8+.
What are the key properties of N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide?
N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide has a molecular weight of 179.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide is sourced from PubChem (CID 138703081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).