spiro[2,3-dihydrochromene-4,3'-pyrrolidine]

C12H15NO — CID 59233929

IUPACspiro[2,3-dihydrochromene-4,3'-pyrrolidine]
SMILESc1ccc2c(c1)OCCC21CCNC1
InChIInChI=1S/C12H15NO/c1-2-4-11-10(3-1)12(6-8-14-11)5-7-13-9-12/h1-4,13H,5-9H2
InChIKeyJXVYZESESFKDEN-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.70
Rot. Bonds

About spiro[2,3-dihydrochromene-4,3'-pyrrolidine]

spiro[2,3-dihydrochromene-4,3'-pyrrolidine] (PubChem CID 59233929) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is spiro[2,3-dihydrochromene-4,3'-pyrrolidine].

Molecular Properties

Compound Namespiro[2,3-dihydrochromene-4,3'-pyrrolidine]
PubChem CID59233929
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Namespiro[2,3-dihydrochromene-4,3'-pyrrolidine]
SMILESc1ccc2c(c1)OCCC21CCNC1
InChIInChI=1S/C12H15NO/c1-2-4-11-10(3-1)12(6-8-14-11)5-7-13-9-12/h1-4,13H,5-9H2
InChIKeyJXVYZESESFKDEN-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The IUPAC name of spiro[2,3-dihydrochromene-4,3'-pyrrolidine] (CID 59233929) is spiro[2,3-dihydrochromene-4,3'-pyrrolidine].
What is the SMILES notation for spiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The canonical SMILES for spiro[2,3-dihydrochromene-4,3'-pyrrolidine] is c1ccc2c(c1)OCCC21CCNC1.
What is the InChIKey of spiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The InChIKey is JXVYZESESFKDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-11-10(3-1)12(6-8-14-11)5-7-13-9-12/h1-4,13H,5-9H2.
What are the key properties of spiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
spiro[2,3-dihydrochromene-4,3'-pyrrolidine] has a molecular weight of 189.26 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydrochromene-4,3'-pyrrolidine] is sourced from PubChem (CID 59233929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).