3-(1-methyl-3-propylpyrrolidin-3-yl)phenol

C14H21NO — CID 9882

IUPAC3-(1-methyl-3-propylpyrrolidin-3-yl)phenol
SMILESCCCC1(c2cccc(O)c2)CCN(C)C1
InChIInChI=1S/C14H21NO/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12/h4-6,10,16H,3,7-9,11H2,1-2H3
InChIKeyVFUGCQKESINERB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds3

About 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol

3-(1-methyl-3-propylpyrrolidin-3-yl)phenol (PubChem CID 9882) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol.

Molecular Properties

Compound Name3-(1-methyl-3-propylpyrrolidin-3-yl)phenol
PubChem CID9882
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(1-methyl-3-propylpyrrolidin-3-yl)phenol
SMILESCCCC1(c2cccc(O)c2)CCN(C)C1
InChIInChI=1S/C14H21NO/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12/h4-6,10,16H,3,7-9,11H2,1-2H3
InChIKeyVFUGCQKESINERB-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol?
The IUPAC name of 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol (CID 9882) is 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol.
What is the SMILES notation for 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol?
The canonical SMILES for 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol is CCCC1(c2cccc(O)c2)CCN(C)C1.
What is the InChIKey of 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol?
The InChIKey is VFUGCQKESINERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12/h4-6,10,16H,3,7-9,11H2,1-2H3.
What are the key properties of 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol?
3-(1-methyl-3-propylpyrrolidin-3-yl)phenol has a molecular weight of 219.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol is sourced from PubChem (CID 9882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).