N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide

C10H13NO3 — CID 91419256

IUPACN-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCOC1=C(OC)C/C(=N/C(C)=O)C=C1
InChIInChI=1S/C10H13NO3/c1-7(12)11-8-4-5-9(13-2)10(6-8)14-3/h4-5H,6H2,1-3H3/b11-8+
InChIKeyKKFPIKITQLEDBW-DHZHZOJOSA-N
MW195.22 g/mol
LogP1.44
Rot. Bonds2

About N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide

N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide (PubChem CID 91419256) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide
PubChem CID91419256
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCOC1=C(OC)C/C(=N/C(C)=O)C=C1
InChIInChI=1S/C10H13NO3/c1-7(12)11-8-4-5-9(13-2)10(6-8)14-3/h4-5H,6H2,1-3H3/b11-8+
InChIKeyKKFPIKITQLEDBW-DHZHZOJOSA-N
XLogP1.44
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-3,4-dihydro-1-benzazepin-2-one
CID 146170528
6-Methoxyquinoxaline-2,3-dione
CID 78204355
6-Methoxybenzazepin-2-one
CID 20137812
8-Methoxy-1-benzazepin-2-one
CID 57417925
4-Methoxyindol-2-one
CID 152312539
lithium N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
CID 10083125
N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
CID 10083126
2(1H)-Quinoxalinone, 6-methoxy-
CID 72206608

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide?
The IUPAC name of N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide (CID 91419256) is N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide?
The canonical SMILES for N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide is COC1=C(OC)C/C(=N/C(C)=O)C=C1.
What is the InChIKey of N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide?
The InChIKey is KKFPIKITQLEDBW-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(12)11-8-4-5-9(13-2)10(6-8)14-3/h4-5H,6H2,1-3H3/b11-8+.
What are the key properties of N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide?
N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide has a molecular weight of 195.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide is sourced from PubChem (CID 91419256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).