1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine

C14H19NO2 — CID 10014217

IUPAC1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
SMILESCOc1cccc2c1CC(N1CCCC1)CO2
InChIInChI=1S/C14H19NO2/c1-16-13-5-4-6-14-12(13)9-11(10-17-14)15-7-2-3-8-15/h4-6,11H,2-3,7-10H2,1H3
InChIKeyHDUPNKAXLWKEFD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.09
Rot. Bonds2

About 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine

1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine (PubChem CID 10014217) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
PubChem CID10014217
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
SMILESCOc1cccc2c1CC(N1CCCC1)CO2
InChIInChI=1S/C14H19NO2/c1-16-13-5-4-6-14-12(13)9-11(10-17-14)15-7-2-3-8-15/h4-6,11H,2-3,7-10H2,1H3
InChIKeyHDUPNKAXLWKEFD-UHFFFAOYSA-N
XLogP2.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
The IUPAC name of 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine (CID 10014217) is 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine.
What is the SMILES notation for 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
The canonical SMILES for 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine is COc1cccc2c1CC(N1CCCC1)CO2.
What is the InChIKey of 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
The InChIKey is HDUPNKAXLWKEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-13-5-4-6-14-12(13)9-11(10-17-14)15-7-2-3-8-15/h4-6,11H,2-3,7-10H2,1H3.
What are the key properties of 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine has a molecular weight of 233.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine is sourced from PubChem (CID 10014217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).