N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide

C9H10NO+ — CID 100944528

IUPACN-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1\C=CC(C)=C[CH+]1
InChIInChI=1S/C9H10NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3/q+1
InChIKeyFLHMQSBSFGBUIR-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.69
Rot. Bonds

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

N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide (PubChem CID 100944528) has the molecular formula C9H10NO+ and a molecular weight of 148.18 g/mol. Its IUPAC name is N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
PubChem CID100944528
Molecular FormulaC9H10NO+
Molecular Weight148.18 g/mol
Exact Mass148.08
IUPAC NameN-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
SMILESCC(=O)/N=C1\C=CC(C)=C[CH+]1
InChIInChI=1S/C9H10NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3/q+1
InChIKeyFLHMQSBSFGBUIR-UHFFFAOYSA-N
XLogP1.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Indol-2-one
CID 17904787
1-Benzazepin-2-one
CID 20244764
Benzazoninone
CID 20269004
3-Methyl-oxoindole
CID 21477845
2,3-Dihydroquinolinone
CID 56625474
3,4-Dihydro-8-fluoro-7-methyl-2-oxo-1-benzazepine
CID 22101951
3-fluoro-3H-quinolin-2-one
CID 119086068
2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 175713856
[(6E)-6-methylimino-1-cyclohexa-2,4-dienylidene]methanone
CID 24975403
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 134893326
(6-Propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893386
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide (CID 100944528) is N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The canonical SMILES for N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide is CC(=O)/N=C1\C=CC(C)=C[CH+]1.
What is the InChIKey of N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
The InChIKey is FLHMQSBSFGBUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3/q+1.
What are the key properties of N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide?
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide has a molecular weight of 148.18 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide is sourced from PubChem (CID 100944528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).