(6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone

C11H13NO — CID 134893458

IUPAC(6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESCC(C)(C)/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C11H13NO/c1-11(2,3)12-10-7-5-4-6-9(10)8-13/h4-7H,1-3H3/b12-10+
InChIKeyYSOBLEFNIWNMCD-ZRDIBKRKSA-N
MW175.23 g/mol
LogP2.11
Rot. Bonds

About (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone

(6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 134893458) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID134893458
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESCC(C)(C)/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C11H13NO/c1-11(2,3)12-10-7-5-4-6-9(10)8-13/h4-7H,1-3H3/b12-10+
InChIKeyYSOBLEFNIWNMCD-ZRDIBKRKSA-N
XLogP2.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide
CID 59850017
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
N-tert-butylcyclohexa-2,4-dien-1-imine
CID 14398597
(5-Methylindol-2-ylidene)methanone
CID 21327252
(3-Ethylindol-2-ylidene)methanone
CID 88795305
N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 90448187
ethane;3-methyl-3H-quinolin-2-one
CID 91141532
3-methyl-3H-quinolin-2-one
CID 91141533
(6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine
CID 122523753

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone (CID 134893458) is (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone is CC(C)(C)/N=C1\C=CC=CC1=C=O.
What is the InChIKey of (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is YSOBLEFNIWNMCD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(2,3)12-10-7-5-4-6-9(10)8-13/h4-7H,1-3H3/b12-10+.
What are the key properties of (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone?
(6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 175.23 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 134893458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).