5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride

C10H14ClN3 — CID 131986793

IUPAC5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride
SMILESC(=C/C1CCNC1)\c1cncnc1.Cl
InChIInChI=1S/C10H13N3.ClH/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10;/h1-2,6-9,11H,3-5H2;1H/b2-1+;
InChIKeyJGPJNHOLXCZKSP-TYYBGVCCSA-N
MW211.70 g/mol
LogP1.52
Rot. Bonds2

About 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride

5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride (PubChem CID 131986793) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride.

Molecular Properties

Compound Name5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride
PubChem CID131986793
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride
SMILESC(=C/C1CCNC1)\c1cncnc1.Cl
InChIInChI=1S/C10H13N3.ClH/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10;/h1-2,6-9,11H,3-5H2;1H/b2-1+;
InChIKeyJGPJNHOLXCZKSP-TYYBGVCCSA-N
XLogP1.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride?
The IUPAC name of 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride (CID 131986793) is 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride.
What is the SMILES notation for 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride?
The canonical SMILES for 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride is C(=C/C1CCNC1)\c1cncnc1.Cl.
What is the InChIKey of 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride?
The InChIKey is JGPJNHOLXCZKSP-TYYBGVCCSA-N. The full InChI is InChI=1S/C10H13N3.ClH/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10;/h1-2,6-9,11H,3-5H2;1H/b2-1+;.
What are the key properties of 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride?
5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride has a molecular weight of 211.70 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride is sourced from PubChem (CID 131986793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).