2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

C11H19N5O — CID 107062561

IUPAC2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)Cc2nnn(C)n2)CCNC1
InChIInChI=1S/C11H19N5O/c1-8(2)11(4-5-12-7-11)9(17)6-10-13-15-16(3)14-10/h8,12H,4-7H2,1-3H3
InChIKeyWZMVLTBTXXIDIB-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.04
Rot. Bonds4

About 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 107062561) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
PubChem CID107062561
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)Cc2nnn(C)n2)CCNC1
InChIInChI=1S/C11H19N5O/c1-8(2)11(4-5-12-7-11)9(17)6-10-13-15-16(3)14-10/h8,12H,4-7H2,1-3H3
InChIKeyWZMVLTBTXXIDIB-UHFFFAOYSA-N
XLogP-0.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (CID 107062561) is 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is CC(C)C1(C(=O)Cc2nnn(C)n2)CCNC1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is WZMVLTBTXXIDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(2)11(4-5-12-7-11)9(17)6-10-13-15-16(3)14-10/h8,12H,4-7H2,1-3H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 237.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 107062561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).