(1-benzyl-2-methylpyrrolidin-2-yl)methanol

C13H19NO — CID 56795638

IUPAC(1-benzyl-2-methylpyrrolidin-2-yl)methanol
SMILESCC1(CO)CCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-13(11-15)8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3
InChIKeyLIGZPJRPJQVVNK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds3

About (1-benzyl-2-methylpyrrolidin-2-yl)methanol

(1-benzyl-2-methylpyrrolidin-2-yl)methanol (PubChem CID 56795638) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1-benzyl-2-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-2-methylpyrrolidin-2-yl)methanol
PubChem CID56795638
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1-benzyl-2-methylpyrrolidin-2-yl)methanol
SMILESCC1(CO)CCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-13(11-15)8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3
InChIKeyLIGZPJRPJQVVNK-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-methylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-benzyl-2-methylpyrrolidin-2-yl)methanol (CID 56795638) is (1-benzyl-2-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-benzyl-2-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-benzyl-2-methylpyrrolidin-2-yl)methanol is CC1(CO)CCCN1Cc1ccccc1.
What is the InChIKey of (1-benzyl-2-methylpyrrolidin-2-yl)methanol?
The InChIKey is LIGZPJRPJQVVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(11-15)8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3.
What are the key properties of (1-benzyl-2-methylpyrrolidin-2-yl)methanol?
(1-benzyl-2-methylpyrrolidin-2-yl)methanol has a molecular weight of 205.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 56795638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).