N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide

C10H13NO — CID 174428566

IUPACN-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide
SMILESC=C[C@@]1(NC(C)=O)C=CC=CC1
InChIInChI=1S/C10H13NO/c1-3-10(11-9(2)12)7-5-4-6-8-10/h3-7H,1,8H2,2H3,(H,11,12)/t10-/m1/s1
InChIKeyGREFRDOPRLKVNU-SNVBAGLBSA-N
MW163.22 g/mol
LogP1.56
Rot. Bonds2

About N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide

N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 174428566) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide
PubChem CID174428566
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide
SMILESC=C[C@@]1(NC(C)=O)C=CC=CC1
InChIInChI=1S/C10H13NO/c1-3-10(11-9(2)12)7-5-4-6-8-10/h3-7H,1,8H2,2H3,(H,11,12)/t10-/m1/s1
InChIKeyGREFRDOPRLKVNU-SNVBAGLBSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]amino]-2-fluoropentanamide;hydrochloride
CID 174643511
6-chloro-N-[(1S)-1-ethenylcyclohexa-2,4-dien-1-yl]pyrazin-2-amine
CID 175275305
1-ethenylcyclohexa-2,4-dien-1-ol
CID 66814582
dimethyl cyclohexa-2,4-diene-1,1-dicarboxylate
CID 12865894
(1-acetylcyclohexa-2,4-dien-1-yl)boronic acid
CID 142702865
(1-aminocyclohexa-2,4-dien-1-yl)urea
CID 21247398
1-[1-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]ethanone
CID 141023556
N-cyclohepta-1,4,6-trien-1-ylacetamide
CID 142183927
N-[(1S)-1-ethenylcyclohexa-2,4-dien-1-yl]-2,2-dimethyl-N-propanoylpropanamide
CID 174583558
2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol
CID 151533761
[1-[1-[1-(1-acetyloxycyclohexa-2,4-dien-1-yl)ethyldiazenyl]ethyl]cyclohexa-2,4-dien-1-yl] acetate
CID 70023797
(1S)-1-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexa-2,4-diene-1-carbaldehyde
CID 97049623

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide (CID 174428566) is N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide is C=C[C@@]1(NC(C)=O)C=CC=CC1.
What is the InChIKey of N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is GREFRDOPRLKVNU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-10(11-9(2)12)7-5-4-6-8-10/h3-7H,1,8H2,2H3,(H,11,12)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide?
N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 163.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 174428566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).