[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone

C16H17NO — CID 95654424

IUPAC[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)[C@H]2CC=CCC2)c2ccccc21
InChIInChI=1S/C16H17NO/c1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2-3,5-6,9-12H,4,7-8H2,1H3/t12-/m0/s1
InChIKeyLRWTURHCDGOKAS-LBPRGKRZSA-N
MW239.32 g/mol
LogP3.72
Rot. Bonds2

About [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone

[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 95654424) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID95654424
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)[C@H]2CC=CCC2)c2ccccc21
InChIInChI=1S/C16H17NO/c1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2-3,5-6,9-12H,4,7-8H2,1H3/t12-/m0/s1
InChIKeyLRWTURHCDGOKAS-LBPRGKRZSA-N
XLogP3.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone
CID 106892551
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841
methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
CID 85370263
2-(1-methylindole-3-carbonyl)cyclopentan-1-one
CID 102291914
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79757869
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
CID 66394358
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-methylindole-3-carbothioic S-acid
CID 116918837

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone (CID 95654424) is [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)[C@H]2CC=CCC2)c2ccccc21.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is LRWTURHCDGOKAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2-3,5-6,9-12H,4,7-8H2,1H3/t12-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone?
[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 239.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 95654424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).