5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine

C10H13N3 — CID 11672753

IUPAC5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine
SMILESC(=C/[C@@H]1CCNC1)\c1cncnc1
InChIInChI=1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2/b2-1+/t9-/m1/s1
InChIKeyFNEHSHNEXMPCLJ-GPYPMJJRSA-N
MW175.24 g/mol
LogP1.10
Rot. Bonds2

About 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine

5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine (PubChem CID 11672753) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine.

Molecular Properties

Compound Name5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine
PubChem CID11672753
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine
SMILESC(=C/[C@@H]1CCNC1)\c1cncnc1
InChIInChI=1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2/b2-1+/t9-/m1/s1
InChIKeyFNEHSHNEXMPCLJ-GPYPMJJRSA-N
XLogP1.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine?
The IUPAC name of 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine (CID 11672753) is 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine.
What is the SMILES notation for 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine?
The canonical SMILES for 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine is C(=C/[C@@H]1CCNC1)\c1cncnc1.
What is the InChIKey of 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine?
The InChIKey is FNEHSHNEXMPCLJ-GPYPMJJRSA-N. The full InChI is InChI=1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2/b2-1+/t9-/m1/s1.
What are the key properties of 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine?
5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine has a molecular weight of 175.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyrimidine is sourced from PubChem (CID 11672753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).