(6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone

C10H11NO — CID 134893386

IUPAC(6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESCC(C)/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C10H11NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3/b11-10+
InChIKeyXIVRWGQSNUDZLT-ZHACJKMWSA-N
MW161.20 g/mol
LogP1.72
Rot. Bonds1

About (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone

(6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 134893386) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID134893386
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESCC(C)/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C10H11NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3/b11-10+
InChIKeyXIVRWGQSNUDZLT-ZHACJKMWSA-N
XLogP1.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.72
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'}

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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-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
3-Methyl-1,4-benzodiazepin-2-one
CID 19781538
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 66781145
2-Methyl-2,3-dihydroquinoline
CID 68021362
(6Z)-6-ethylidene-N-methylcyclohexa-2,4-dien-1-imine
CID 70313547
2-Methylquinolin-3(2H)-one
CID 73011166
2H-quinolin-3-ylidenemethanone
CID 87769772
2,7-Dimethyl-2,3-dihydroquinoline
CID 89003703

Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone (CID 134893386) is (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone is CC(C)/N=C1\C=CC=CC1=C=O.
What is the InChIKey of (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is XIVRWGQSNUDZLT-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H11NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3/b11-10+.
What are the key properties of (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone?
(6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 161.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 134893386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).