2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole

C16H17N — CID 58456620

IUPAC2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole
SMILESC=c1c2ccccc2c(=C)n1C1C=CCCC1
InChIInChI=1S/C16H17N/c1-12-15-10-6-7-11-16(15)13(2)17(12)14-8-4-3-5-9-14/h4,6-8,10-11,14H,1-3,5,9H2
InChIKeyNXGJIBSALNBMMW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.74
Rot. Bonds1

About 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole

2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole (PubChem CID 58456620) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole
PubChem CID58456620
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole
SMILESC=c1c2ccccc2c(=C)n1C1C=CCCC1
InChIInChI=1S/C16H17N/c1-12-15-10-6-7-11-16(15)13(2)17(12)14-8-4-3-5-9-14/h4,6-8,10-11,14H,1-3,5,9H2
InChIKeyNXGJIBSALNBMMW-UHFFFAOYSA-N
XLogP2.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 62436
Isoindoline
CID 422478
Mcn 4612
CID 135949
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CID 13202963
N-methyl-2-phenylpyrrolidine
CID 248799
Diphenyl isoindoline
CID 606734
2-Phenylisoindoline
CID 226063
(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
CID 45263057
2-(1-Methyl-2-phenylethyl)isoindoline
CID 6618797
(2S)-1-Methyl-2-phenylpyrrolidine
CID 12625600
1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinoline
CID 12272373
2-Methyl-2-phenylisoindolinium iodide
CID 28105

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole?
The IUPAC name of 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole (CID 58456620) is 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole?
The canonical SMILES for 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole is C=c1c2ccccc2c(=C)n1C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole?
The InChIKey is NXGJIBSALNBMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-15-10-6-7-11-16(15)13(2)17(12)14-8-4-3-5-9-14/h4,6-8,10-11,14H,1-3,5,9H2.
What are the key properties of 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole?
2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole has a molecular weight of 223.32 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole is sourced from PubChem (CID 58456620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).