N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide

C11H16NO2- — CID 134817736

IUPACN-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C)C1=CC[CH-]C=C1
InChIInChI=1S/C11H16NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,12,13)/q-1/t9-/m1/s1
InChIKeyMETSDQBFVSOEBT-SECBINFHSA-N
MW194.25 g/mol
LogP1.23
Rot. Bonds4

About N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide

N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide (PubChem CID 134817736) has the molecular formula C11H16NO2- and a molecular weight of 194.25 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide
PubChem CID134817736
Molecular FormulaC11H16NO2-
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C)C1=CC[CH-]C=C1
InChIInChI=1S/C11H16NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,12,13)/q-1/t9-/m1/s1
InChIKeyMETSDQBFVSOEBT-SECBINFHSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
4-(4-Ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one
CID 70224383
4-[(3E)-6-amino-5-methylidenehepta-1,3-dien-3-yl]morpholin-3-one
CID 90251114
1,9a-Dihydro-4,1-benzoxazepin-2-one
CID 91035501
2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
CID 123194018
N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide
CID 138502815
N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide
CID 138502884
ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide
CID 142988139
2-methoxy-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]acetamide
CID 143338086
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide
CID 143852733
N-[(3Z,5E)-5-cyano-3-ethenylhepta-3,5-dienyl]-2-methoxyacetamide
CID 144172007
(2E,3Z)-2-ethylidene-4-[2-[(2-methoxyacetyl)amino]ethyl]hexa-3,5-dienamide
CID 144172026

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide?
The IUPAC name of N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide (CID 134817736) is N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide is COCC(=O)N[C@H](C)C1=CC[CH-]C=C1.
What is the InChIKey of N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide?
The InChIKey is METSDQBFVSOEBT-SECBINFHSA-N. The full InChI is InChI=1S/C11H16NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,12,13)/q-1/t9-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide?
N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide has a molecular weight of 194.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide is sourced from PubChem (CID 134817736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).