(4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone

C8H13N5O — CID 131021099

IUPAC(4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCC1CNCC1C(=O)c1nnn(C)n1
InChIInChI=1S/C8H13N5O/c1-5-3-9-4-6(5)7(14)8-10-12-13(2)11-8/h5-6,9H,3-4H2,1-2H3
InChIKeyWMMPQQASQMLAFR-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.75
Rot. Bonds2

About (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone

(4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 131021099) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
PubChem CID131021099
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCC1CNCC1C(=O)c1nnn(C)n1
InChIInChI=1S/C8H13N5O/c1-5-3-9-4-6(5)7(14)8-10-12-13(2)11-8/h5-6,9H,3-4H2,1-2H3
InChIKeyWMMPQQASQMLAFR-UHFFFAOYSA-N
XLogP-0.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone (CID 131021099) is (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone is CC1CNCC1C(=O)c1nnn(C)n1.
What is the InChIKey of (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is WMMPQQASQMLAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5-3-9-4-6(5)7(14)8-10-12-13(2)11-8/h5-6,9H,3-4H2,1-2H3.
What are the key properties of (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
(4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 195.23 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 131021099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).