cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone

C13H18N2O — CID 112535650

IUPACcyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESO=C(C1CCCC1)n1ccc2c1CCNC2
InChIInChI=1S/C13H18N2O/c16-13(10-3-1-2-4-10)15-8-6-11-9-14-7-5-12(11)15/h6,8,10,14H,1-5,7,9H2
InChIKeyFHOVLXFWCRVOHE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.96
Rot. Bonds1

About cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone

cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone (PubChem CID 112535650) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone
PubChem CID112535650
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Namecyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESO=C(C1CCCC1)n1ccc2c1CCNC2
InChIInChI=1S/C13H18N2O/c16-13(10-3-1-2-4-10)15-8-6-11-9-14-7-5-12(11)15/h6,8,10,14H,1-5,7,9H2
InChIKeyFHOVLXFWCRVOHE-UHFFFAOYSA-N
XLogP1.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone
CID 112535615
2-(3-chlorophenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535630
cycloheptyl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119521255
2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535634
3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535703
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535636
cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612626
3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535701
1-cyclopentyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105445512
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116612878

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The IUPAC name of cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone (CID 112535650) is cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone.
What is the SMILES notation for cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The canonical SMILES for cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone is O=C(C1CCCC1)n1ccc2c1CCNC2.
What is the InChIKey of cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The InChIKey is FHOVLXFWCRVOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(10-3-1-2-4-10)15-8-6-11-9-14-7-5-12(11)15/h6,8,10,14H,1-5,7,9H2.
What are the key properties of cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone?
cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone is sourced from PubChem (CID 112535650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).