1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine

C19H25NO — CID 174572751

IUPAC1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine
SMILESCC(C)c1ccc(C2=CCC=C(CN3CCCC3)O2)cc1
InChIInChI=1S/C19H25NO/c1-15(2)16-8-10-17(11-9-16)19-7-5-6-18(21-19)14-20-12-3-4-13-20/h6-11,15H,3-5,12-14H2,1-2H3
InChIKeyKGQFZZWXSPYOSA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.55
Rot. Bonds4

About 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine

1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine (PubChem CID 174572751) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine
PubChem CID174572751
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine
SMILESCC(C)c1ccc(C2=CCC=C(CN3CCCC3)O2)cc1
InChIInChI=1S/C19H25NO/c1-15(2)16-8-10-17(11-9-16)19-7-5-6-18(21-19)14-20-12-3-4-13-20/h6-11,15H,3-5,12-14H2,1-2H3
InChIKeyKGQFZZWXSPYOSA-UHFFFAOYSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine (CID 174572751) is 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine is CC(C)c1ccc(C2=CCC=C(CN3CCCC3)O2)cc1.
What is the InChIKey of 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine?
The InChIKey is KGQFZZWXSPYOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)16-8-10-17(11-9-16)19-7-5-6-18(21-19)14-20-12-3-4-13-20/h6-11,15H,3-5,12-14H2,1-2H3.
What are the key properties of 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine?
1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine has a molecular weight of 283.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-propan-2-ylphenyl)-4H-pyran-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 174572751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).