(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone

C13H15N5O2 — CID 103745670

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C13H15N5O2/c1-13(20)6-7-18(8-13)12(19)10-4-2-9(3-5-10)11-14-16-17-15-11/h2-5,20H,6-8H2,1H3,(H,14,15,16,17)
InChIKeyTWJAHFPJQBSLOE-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.46
Rot. Bonds2

About (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 103745670) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID103745670
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C13H15N5O2/c1-13(20)6-7-18(8-13)12(19)10-4-2-9(3-5-10)11-14-16-17-15-11/h2-5,20H,6-8H2,1H3,(H,14,15,16,17)
InChIKeyTWJAHFPJQBSLOE-UHFFFAOYSA-N
XLogP0.46
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone (CID 103745670) is (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone is CC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is TWJAHFPJQBSLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-13(20)6-7-18(8-13)12(19)10-4-2-9(3-5-10)11-14-16-17-15-11/h2-5,20H,6-8H2,1H3,(H,14,15,16,17).
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 273.30 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 103745670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).