cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C14H16N2O — CID 102626384

IUPACcyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ccncc12)C1CCCCC1
InChIInChI=1S/C14H16N2O/c17-14(10-4-2-1-3-5-10)12-9-16-13-6-7-15-8-11(12)13/h6-10,16H,1-5H2
InChIKeyMRBWPBHKOSDGAS-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.33
Rot. Bonds2

About cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626384) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626384
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Namecyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ccncc12)C1CCCCC1
InChIInChI=1S/C14H16N2O/c17-14(10-4-2-1-3-5-10)12-9-16-13-6-7-15-8-11(12)13/h6-10,16H,1-5H2
InChIKeyMRBWPBHKOSDGAS-UHFFFAOYSA-N
XLogP3.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626691
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
piperidin-3-yl(1H-pyrrolo[2,3-c]pyridin-3-yl)methanone
CID 84692750
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 102626478
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
cyclohexyl(isoquinolin-8-yl)methanone
CID 103134088
3-(cycloheptanecarbonyl)-1H-indole-5-carbonitrile
CID 107919859
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
CID 102626397
3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile
CID 107916614

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626384) is cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is O=C(c1c[nH]c2ccncc12)C1CCCCC1.
What is the InChIKey of cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is MRBWPBHKOSDGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(10-4-2-1-3-5-10)12-9-16-13-6-7-15-8-11(12)13/h6-10,16H,1-5H2.
What are the key properties of cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 228.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).