formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C15H20N2O4 — CID 171679952

IUPACformic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC1=C(c2ccc3c(n2)CCC3)CNCC1.O=CO.O=CO
InChIInChI=1S/C13H16N2.2CH2O2/c1-3-10-6-7-13(15-12(10)5-1)11-4-2-8-14-9-11;2*2-1-3/h4,6-7,14H,1-3,5,8-9H2;2*1H,(H,2,3)
InChIKeyBAPQDQQWHWKLCT-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.35
Rot. Bonds1

About formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 171679952) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Nameformic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID171679952
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nameformic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC1=C(c2ccc3c(n2)CCC3)CNCC1.O=CO.O=CO
InChIInChI=1S/C13H16N2.2CH2O2/c1-3-10-6-7-13(15-12(10)5-1)11-4-2-8-14-9-11;2*2-1-3/h4,6-7,14H,1-3,5,8-9H2;2*1H,(H,2,3)
InChIKeyBAPQDQQWHWKLCT-UHFFFAOYSA-N
XLogP1.35
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 171679952) is formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is C1=C(c2ccc3c(n2)CCC3)CNCC1.O=CO.O=CO.
What is the InChIKey of formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is BAPQDQQWHWKLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.2CH2O2/c1-3-10-6-7-13(15-12(10)5-1)11-4-2-8-14-9-11;2*2-1-3/h4,6-7,14H,1-3,5,8-9H2;2*1H,(H,2,3).
What are the key properties of formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 292.33 g/mol, XLogP of 1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(1,2,3,6-tetrahydropyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 171679952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).