bis(3,4-dihydro-2H-chromene);pyridine

C23H25NO2 — CID 172723174

IUPACbis(3,4-dihydro-2H-chromene);pyridine
SMILESc1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1ccncc1
InChIInChI=1S/2C9H10O.C5H5N/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-6-5-3-1/h2*1-2,4,6H,3,5,7H2;1-5H
InChIKeyGUGCHUQAXZSSBH-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.10
Rot. Bonds

About bis(3,4-dihydro-2H-chromene);pyridine

bis(3,4-dihydro-2H-chromene);pyridine (PubChem CID 172723174) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is bis(3,4-dihydro-2H-chromene);pyridine.

Molecular Properties

Compound Namebis(3,4-dihydro-2H-chromene);pyridine
PubChem CID172723174
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Namebis(3,4-dihydro-2H-chromene);pyridine
SMILESc1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1ccncc1
InChIInChI=1S/2C9H10O.C5H5N/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-6-5-3-1/h2*1-2,4,6H,3,5,7H2;1-5H
InChIKeyGUGCHUQAXZSSBH-UHFFFAOYSA-N
XLogP5.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(3,4-dihydro-2H-chromene);pyridine?
The IUPAC name of bis(3,4-dihydro-2H-chromene);pyridine (CID 172723174) is bis(3,4-dihydro-2H-chromene);pyridine.
What is the SMILES notation for bis(3,4-dihydro-2H-chromene);pyridine?
The canonical SMILES for bis(3,4-dihydro-2H-chromene);pyridine is c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1ccncc1.
What is the InChIKey of bis(3,4-dihydro-2H-chromene);pyridine?
The InChIKey is GUGCHUQAXZSSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O.C5H5N/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-6-5-3-1/h2*1-2,4,6H,3,5,7H2;1-5H.
What are the key properties of bis(3,4-dihydro-2H-chromene);pyridine?
bis(3,4-dihydro-2H-chromene);pyridine has a molecular weight of 347.46 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dihydro-2H-chromene);pyridine is sourced from PubChem (CID 172723174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).