[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

C14H14N2O2 — CID 116590039

IUPAC[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESNCc1ccc(C(=O)C2CCc3cccnc32)o1
InChIInChI=1S/C14H14N2O2/c15-8-10-4-6-12(18-10)14(17)11-5-3-9-2-1-7-16-13(9)11/h1-2,4,6-7,11H,3,5,8,15H2
InChIKeyXJTQZCRJIWIIDE-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.05
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (PubChem CID 116590039) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
PubChem CID116590039
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESNCc1ccc(C(=O)C2CCc3cccnc32)o1
InChIInChI=1S/C14H14N2O2/c15-8-10-4-6-12(18-10)14(17)11-5-3-9-2-1-7-16-13(9)11/h1-2,4,6-7,11H,3,5,8,15H2
InChIKeyXJTQZCRJIWIIDE-UHFFFAOYSA-N
XLogP2.05
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (CID 116590039) is [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is NCc1ccc(C(=O)C2CCc3cccnc32)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The InChIKey is XJTQZCRJIWIIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-8-10-4-6-12(18-10)14(17)11-5-3-9-2-1-7-16-13(9)11/h1-2,4,6-7,11H,3,5,8,15H2.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is sourced from PubChem (CID 116590039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).