2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide

C10H14N2O2 — CID 177134312

IUPAC2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide
SMILESC=C(C)C(=C)OCCNC(=O)CC#N
InChIInChI=1S/C10H14N2O2/c1-8(2)9(3)14-7-6-12-10(13)4-5-11/h1,3-4,6-7H2,2H3,(H,12,13)
InChIKeyFABXRMVKQUNLBD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.12
Rot. Bonds6

About 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide

2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide (PubChem CID 177134312) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide
PubChem CID177134312
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide
SMILESC=C(C)C(=C)OCCNC(=O)CC#N
InChIInChI=1S/C10H14N2O2/c1-8(2)9(3)14-7-6-12-10(13)4-5-11/h1,3-4,6-7H2,2H3,(H,12,13)
InChIKeyFABXRMVKQUNLBD-UHFFFAOYSA-N
XLogP1.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide
CID 89321981
2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114393276
2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]butanamide
CID 130192834
O-[2-[(2-cyanoacetyl)amino]ethyl] 2-methylprop-2-enethioate
CID 155448056
2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide
CID 170379363
2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700254
2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115701036

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide (CID 177134312) is 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide is C=C(C)C(=C)OCCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide?
The InChIKey is FABXRMVKQUNLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(2)9(3)14-7-6-12-10(13)4-5-11/h1,3-4,6-7H2,2H3,(H,12,13).
What are the key properties of 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide?
2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide has a molecular weight of 194.23 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]acetamide is sourced from PubChem (CID 177134312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).