(3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone

C9H15N5O — CID 131071172

IUPAC(3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCCC1(C(=O)c2nnn(C)n2)CCNC1
InChIInChI=1S/C9H15N5O/c1-3-9(4-5-10-6-9)7(15)8-11-13-14(2)12-8/h10H,3-6H2,1-2H3
InChIKeyNUJZZFBSGVMTED-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.22
Rot. Bonds3

About (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone

(3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 131071172) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
PubChem CID131071172
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCCC1(C(=O)c2nnn(C)n2)CCNC1
InChIInChI=1S/C9H15N5O/c1-3-9(4-5-10-6-9)7(15)8-11-13-14(2)12-8/h10H,3-6H2,1-2H3
InChIKeyNUJZZFBSGVMTED-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone (CID 131071172) is (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone is CCC1(C(=O)c2nnn(C)n2)CCNC1.
What is the InChIKey of (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is NUJZZFBSGVMTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-3-9(4-5-10-6-9)7(15)8-11-13-14(2)12-8/h10H,3-6H2,1-2H3.
What are the key properties of (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?
(3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 131071172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).