(1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate

C14H16N2O3 — CID 174750400

IUPAC(1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate
SMILESCC(=O)Oc1c[nH]c(=O)c2ccn(C3CCCC3)c12
InChIInChI=1S/C14H16N2O3/c1-9(17)19-12-8-15-14(18)11-6-7-16(13(11)12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)
InChIKeyFQQIPEMDXRQHHC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.37
Rot. Bonds2

About (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate

(1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate (PubChem CID 174750400) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate.

Molecular Properties

Compound Name(1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate
PubChem CID174750400
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate
SMILESCC(=O)Oc1c[nH]c(=O)c2ccn(C3CCCC3)c12
InChIInChI=1S/C14H16N2O3/c1-9(17)19-12-8-15-14(18)11-6-7-16(13(11)12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)
InChIKeyFQQIPEMDXRQHHC-UHFFFAOYSA-N
XLogP2.37
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-cyclopropyl-6-(ethylperoxymethyl)indol-4-yl] acetate
CID 88966732
1-(1-cyclopentylindol-5-yl)ethanone
CID 115115492
[2-[(4-chlorophenyl)-hydroxymethyl]-1-cyclopropylpyrrol-3-yl] acetate
CID 175287634
1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 102942272
5-acetyl-3-cyclopentyl-1H-pyrimidine-2,4-dione
CID 80642763
(7-hydroxy-1H-indol-3-yl) acetate
CID 174769311
(1-piperidin-4-ylindol-6-yl) acetate
CID 174552540
methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498695
(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
CID 174552539
[2-(acetamidomethyl)-4-cyclopentylphenyl] acetate
CID 71411255
4-cyclobutyl-1H-pyrazine-2,3-dione
CID 166103316
9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one
CID 123836743

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate?
The IUPAC name of (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate (CID 174750400) is (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate.
What is the SMILES notation for (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate?
The canonical SMILES for (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate is CC(=O)Oc1c[nH]c(=O)c2ccn(C3CCCC3)c12.
What is the InChIKey of (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate?
The InChIKey is FQQIPEMDXRQHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)19-12-8-15-14(18)11-6-7-16(13(11)12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18).
What are the key properties of (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate?
(1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate has a molecular weight of 260.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-4-oxo-5H-pyrrolo[3,2-c]pyridin-7-yl) acetate is sourced from PubChem (CID 174750400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).