1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]

C15H21NO — CID 10537503

IUPAC1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
SMILESCCCN1CCCC12COc1ccccc1C2
InChIInChI=1S/C15H21NO/c1-2-9-16-10-5-8-15(16)11-13-6-3-4-7-14(13)17-12-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyKVWQUSCIHSGNTO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.87
Rot. Bonds2

About 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]

1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] (PubChem CID 10537503) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine].

Molecular Properties

Compound Name1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
PubChem CID10537503
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
SMILESCCCN1CCCC12COc1ccccc1C2
InChIInChI=1S/C15H21NO/c1-2-9-16-10-5-8-15(16)11-13-6-3-4-7-14(13)17-12-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyKVWQUSCIHSGNTO-UHFFFAOYSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The IUPAC name of 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] (CID 10537503) is 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine].
What is the SMILES notation for 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The canonical SMILES for 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] is CCCN1CCCC12COc1ccccc1C2.
What is the InChIKey of 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The InChIKey is KVWQUSCIHSGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-9-16-10-5-8-15(16)11-13-6-3-4-7-14(13)17-12-15/h3-4,6-7H,2,5,8-12H2,1H3.
What are the key properties of 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] has a molecular weight of 231.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] is sourced from PubChem (CID 10537503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).