cyclopropyl-(1,5-dimethylindol-3-yl)methanone

C14H15NO — CID 82278819

IUPACcyclopropyl-(1,5-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(c1)c(C(=O)C1CC1)cn2C
InChIInChI=1S/C14H15NO/c1-9-3-6-13-11(7-9)12(8-15(13)2)14(16)10-4-5-10/h3,6-8,10H,4-5H2,1-2H3
InChIKeyIFHNEHHYFYPSSU-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.08
Rot. Bonds2

About cyclopropyl-(1,5-dimethylindol-3-yl)methanone

cyclopropyl-(1,5-dimethylindol-3-yl)methanone (PubChem CID 82278819) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is cyclopropyl-(1,5-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1,5-dimethylindol-3-yl)methanone
PubChem CID82278819
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Namecyclopropyl-(1,5-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(c1)c(C(=O)C1CC1)cn2C
InChIInChI=1S/C14H15NO/c1-9-3-6-13-11(7-9)12(8-15(13)2)14(16)10-4-5-10/h3,6-8,10H,4-5H2,1-2H3
InChIKeyIFHNEHHYFYPSSU-UHFFFAOYSA-N
XLogP3.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
CID 82499713
(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone
CID 82278845
1,5-dimethylindole-3-carboxamide
CID 119084556
N,1,5-trimethylindole-3-carboxamide
CID 25149961
1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one
CID 168925957
(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
CID 116651040
1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
CID 115028386
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone
CID 106892551
[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
CID 95654424
1,5-dimethylindole-3-carbaldehyde
CID 1419073

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1,5-dimethylindol-3-yl)methanone?
The IUPAC name of cyclopropyl-(1,5-dimethylindol-3-yl)methanone (CID 82278819) is cyclopropyl-(1,5-dimethylindol-3-yl)methanone.
What is the SMILES notation for cyclopropyl-(1,5-dimethylindol-3-yl)methanone?
The canonical SMILES for cyclopropyl-(1,5-dimethylindol-3-yl)methanone is Cc1ccc2c(c1)c(C(=O)C1CC1)cn2C.
What is the InChIKey of cyclopropyl-(1,5-dimethylindol-3-yl)methanone?
The InChIKey is IFHNEHHYFYPSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-3-6-13-11(7-9)12(8-15(13)2)14(16)10-4-5-10/h3,6-8,10H,4-5H2,1-2H3.
What are the key properties of cyclopropyl-(1,5-dimethylindol-3-yl)methanone?
cyclopropyl-(1,5-dimethylindol-3-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1,5-dimethylindol-3-yl)methanone is sourced from PubChem (CID 82278819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).