1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile

C13H12N2O3 — CID 112749080

IUPAC1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(N2C(=O)Cc3occc3C2=O)CCCC1
InChIInChI=1S/C13H12N2O3/c14-8-13(4-1-2-5-13)15-11(16)7-10-9(12(15)17)3-6-18-10/h3,6H,1-2,4-5,7H2
InChIKeyXSIOSQJZSMHMJU-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.64
Rot. Bonds1

About 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile

1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile (PubChem CID 112749080) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile
PubChem CID112749080
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(N2C(=O)Cc3occc3C2=O)CCCC1
InChIInChI=1S/C13H12N2O3/c14-8-13(4-1-2-5-13)15-11(16)7-10-9(12(15)17)3-6-18-10/h3,6H,1-2,4-5,7H2
InChIKeyXSIOSQJZSMHMJU-UHFFFAOYSA-N
XLogP1.64
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)cycloheptane-1-carbonitrile
CID 63303747
1-(3,5-dioxomorpholin-4-yl)cyclohexane-1-carbonitrile
CID 61328742
1-(2,7-dioxoazepan-1-yl)cycloheptane-1-carbonitrile
CID 61123539
1-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)cyclooctane-1-carbonitrile
CID 61133214
1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexane-1-carbonitrile
CID 55170024
1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carbonitrile
CID 62932072
1-(3-methyl-2,5-dioxopyrrol-1-yl)cycloheptane-1-carbonitrile
CID 61122535
1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 65298575
1-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)cyclohexane-1-carbonitrile
CID 61121944
7H-furo[3,2-c]pyridine-4,6-dione
CID 55283626
1-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)cyclooctane-1-carbonitrile
CID 103551848
spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile (CID 112749080) is 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile is N#CC1(N2C(=O)Cc3occc3C2=O)CCCC1.
What is the InChIKey of 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile?
The InChIKey is XSIOSQJZSMHMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-8-13(4-1-2-5-13)15-11(16)7-10-9(12(15)17)3-6-18-10/h3,6H,1-2,4-5,7H2.
What are the key properties of 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile?
1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile has a molecular weight of 244.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dioxo-7H-furo[3,2-c]pyridin-5-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 112749080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).