1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine

C18H25NO2 — CID 73333437

IUPAC1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine
SMILESCOc1cc2c(cc1C(C)N1CCCC1)C=CC(C)(C)O2
InChIInChI=1S/C18H25NO2/c1-13(19-9-5-6-10-19)15-11-14-7-8-18(2,3)21-16(14)12-17(15)20-4/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKeyKIKBEQTUAIDKPB-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.04
Rot. Bonds3

About 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine

1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine (PubChem CID 73333437) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine
PubChem CID73333437
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine
SMILESCOc1cc2c(cc1C(C)N1CCCC1)C=CC(C)(C)O2
InChIInChI=1S/C18H25NO2/c1-13(19-9-5-6-10-19)15-11-14-7-8-18(2,3)21-16(14)12-17(15)20-4/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKeyKIKBEQTUAIDKPB-UHFFFAOYSA-N
XLogP4.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine (CID 73333437) is 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine is COc1cc2c(cc1C(C)N1CCCC1)C=CC(C)(C)O2.
What is the InChIKey of 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine?
The InChIKey is KIKBEQTUAIDKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(19-9-5-6-10-19)15-11-14-7-8-18(2,3)21-16(14)12-17(15)20-4/h7-8,11-13H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine?
1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine has a molecular weight of 287.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]pyrrolidine is sourced from PubChem (CID 73333437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).