2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine

C22H29NO — CID 44627742

IUPAC2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine
SMILESCN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C22H29NO/c1-23-16-8-13-19(23)20-14-15-21(24-20)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,22H,3,6-8,11-13,16H2,1H3
InChIKeyWHZBQLWHOPDIPC-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.76
Rot. Bonds4

About 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine

2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine (PubChem CID 44627742) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine
PubChem CID44627742
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine
SMILESCN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C22H29NO/c1-23-16-8-13-19(23)20-14-15-21(24-20)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,22H,3,6-8,11-13,16H2,1H3
InChIKeyWHZBQLWHOPDIPC-UHFFFAOYSA-N
XLogP5.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine?
The IUPAC name of 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine (CID 44627742) is 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine?
The canonical SMILES for 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine is CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1.
What is the InChIKey of 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine?
The InChIKey is WHZBQLWHOPDIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-23-16-8-13-19(23)20-14-15-21(24-20)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,22H,3,6-8,11-13,16H2,1H3.
What are the key properties of 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine?
2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine has a molecular weight of 323.48 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine is sourced from PubChem (CID 44627742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).