N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide

C7H11NO2 — CID 178170806

IUPACN-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide
SMILESC=C/C(=C/NC(C)=O)OC
InChIInChI=1S/C7H11NO2/c1-4-7(10-3)5-8-6(2)9/h4-5H,1H2,2-3H3,(H,8,9)/b7-5-
InChIKeyISTKDFYTDCIDGQ-ALCCZGGFSA-N
MW141.17 g/mol
LogP0.80
Rot. Bonds3

About N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide

N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide (PubChem CID 178170806) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide
PubChem CID178170806
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide
SMILESC=C/C(=C/NC(C)=O)OC
InChIInChI=1S/C7H11NO2/c1-4-7(10-3)5-8-6(2)9/h4-5H,1H2,2-3H3,(H,8,9)/b7-5-
InChIKeyISTKDFYTDCIDGQ-ALCCZGGFSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-methoxyhexa-3,5-dien-2-one
CID 71435103
but-3-en-2-one;N-ethenylacetamide
CID 139410839
N-[(Z)-2-hydroxyprop-1-enyl]acetamide
CID 154518387
(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene
CID 155039162
N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
N-(2-ethenyloct-1-enyl)acetamide
CID 71377368
N-buta-1,3-dienylprop-2-enamide;bis(propan-2-one)
CID 88842550
[(3E,5E)-6-acetyloxyocta-1,3,5,7-tetraen-3-yl] acetate
CID 145204463
N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene
CID 178133797

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide?
The IUPAC name of N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide (CID 178170806) is N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide is C=C/C(=C/NC(C)=O)OC.
What is the InChIKey of N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide?
The InChIKey is ISTKDFYTDCIDGQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-7(10-3)5-8-6(2)9/h4-5H,1H2,2-3H3,(H,8,9)/b7-5-.
What are the key properties of N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide?
N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide has a molecular weight of 141.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide is sourced from PubChem (CID 178170806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).