1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone

C17H17NO — CID 114096973

IUPAC1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESO=C(c1c[nH]c2ccccc12)C1C2C3CCC(C3)C12
InChIInChI=1S/C17H17NO/c19-17(12-8-18-13-4-2-1-3-11(12)13)16-14-9-5-6-10(7-9)15(14)16/h1-4,8-10,14-16,18H,5-7H2
InChIKeyAPHUYNIZXBKCCR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.64
Rot. Bonds2

About 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone

1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone (PubChem CID 114096973) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
PubChem CID114096973
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESO=C(c1c[nH]c2ccccc12)C1C2C3CCC(C3)C12
InChIInChI=1S/C17H17NO/c19-17(12-8-18-13-4-2-1-3-11(12)13)16-14-9-5-6-10(7-9)15(14)16/h1-4,8-10,14-16,18H,5-7H2
InChIKeyAPHUYNIZXBKCCR-UHFFFAOYSA-N
XLogP3.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl(1H-indol-3-yl)methanone
CID 965839
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
(3-aminocyclobutyl)-(1H-indol-3-yl)methanone
CID 116917713
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
1H-indol-3-yl(oxolan-3-yl)methanone
CID 61272977
2-(1H-indol-3-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 103767102
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide
CID 43399242
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide
CID 110011778
(1S,6R)-6-(1H-indole-3-carbonyl)cyclohex-3-ene-1-carboxylate
CID 11859762
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
sodium 1H-indole-3-carboxylate
CID 23698293

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The IUPAC name of 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone (CID 114096973) is 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone.
What is the SMILES notation for 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The canonical SMILES for 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone is O=C(c1c[nH]c2ccccc12)C1C2C3CCC(C3)C12.
What is the InChIKey of 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The InChIKey is APHUYNIZXBKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(12-8-18-13-4-2-1-3-11(12)13)16-14-9-5-6-10(7-9)15(14)16/h1-4,8-10,14-16,18H,5-7H2.
What are the key properties of 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone?
1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone is sourced from PubChem (CID 114096973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).