3-[(5-methylpyrrolidin-2-yl)methyl]phenol

C12H17NO — CID 142544066

IUPAC3-[(5-methylpyrrolidin-2-yl)methyl]phenol
SMILESCC1CCC(Cc2cccc(O)c2)N1
InChIInChI=1S/C12H17NO/c1-9-5-6-11(13-9)7-10-3-2-4-12(14)8-10/h2-4,8-9,11,13-14H,5-7H2,1H3
InChIKeyRIOACJNUCBEKFH-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds2

About 3-[(5-methylpyrrolidin-2-yl)methyl]phenol

3-[(5-methylpyrrolidin-2-yl)methyl]phenol (PubChem CID 142544066) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[(5-methylpyrrolidin-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(5-methylpyrrolidin-2-yl)methyl]phenol
PubChem CID142544066
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-[(5-methylpyrrolidin-2-yl)methyl]phenol
SMILESCC1CCC(Cc2cccc(O)c2)N1
InChIInChI=1S/C12H17NO/c1-9-5-6-11(13-9)7-10-3-2-4-12(14)8-10/h2-4,8-9,11,13-14H,5-7H2,1H3
InChIKeyRIOACJNUCBEKFH-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylpyrrolidin-2-yl)methyl]phenol?
The IUPAC name of 3-[(5-methylpyrrolidin-2-yl)methyl]phenol (CID 142544066) is 3-[(5-methylpyrrolidin-2-yl)methyl]phenol.
What is the SMILES notation for 3-[(5-methylpyrrolidin-2-yl)methyl]phenol?
The canonical SMILES for 3-[(5-methylpyrrolidin-2-yl)methyl]phenol is CC1CCC(Cc2cccc(O)c2)N1.
What is the InChIKey of 3-[(5-methylpyrrolidin-2-yl)methyl]phenol?
The InChIKey is RIOACJNUCBEKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-6-11(13-9)7-10-3-2-4-12(14)8-10/h2-4,8-9,11,13-14H,5-7H2,1H3.
What are the key properties of 3-[(5-methylpyrrolidin-2-yl)methyl]phenol?
3-[(5-methylpyrrolidin-2-yl)methyl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyrrolidin-2-yl)methyl]phenol is sourced from PubChem (CID 142544066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).