(2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone

C9H15N5O — CID 130863364

IUPAC(2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCCC1(C(=O)c2nnn(C)n2)CCCN1
InChIInChI=1S/C9H15N5O/c1-3-9(5-4-6-10-9)7(15)8-11-13-14(2)12-8/h10H,3-6H2,1-2H3
InChIKeyMWSXMXDRYGOPIE-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.08
Rot. Bonds3

About (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone

(2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 130863364) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone
PubChem CID130863364
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCCC1(C(=O)c2nnn(C)n2)CCCN1
InChIInChI=1S/C9H15N5O/c1-3-9(5-4-6-10-9)7(15)8-11-13-14(2)12-8/h10H,3-6H2,1-2H3
InChIKeyMWSXMXDRYGOPIE-UHFFFAOYSA-N
XLogP-0.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone (CID 130863364) is (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone is CCC1(C(=O)c2nnn(C)n2)CCCN1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is MWSXMXDRYGOPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-3-9(5-4-6-10-9)7(15)8-11-13-14(2)12-8/h10H,3-6H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone?
(2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130863364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).