5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine

C11H15N3 — CID 10103973

IUPAC5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine
SMILESCN1CCC(/C=C/c2cncnc2)C1
InChIInChI=1S/C11H15N3/c1-14-5-4-10(8-14)2-3-11-6-12-9-13-7-11/h2-3,6-7,9-10H,4-5,8H2,1H3/b3-2+
InChIKeyVVRVEKIBQGFHEP-NSCUHMNNSA-N
MW189.26 g/mol
LogP1.44
Rot. Bonds2

About 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine

5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine (PubChem CID 10103973) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine.

Molecular Properties

Compound Name5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine
PubChem CID10103973
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine
SMILESCN1CCC(/C=C/c2cncnc2)C1
InChIInChI=1S/C11H15N3/c1-14-5-4-10(8-14)2-3-11-6-12-9-13-7-11/h2-3,6-7,9-10H,4-5,8H2,1H3/b3-2+
InChIKeyVVRVEKIBQGFHEP-NSCUHMNNSA-N
XLogP1.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine?
The IUPAC name of 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine (CID 10103973) is 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine.
What is the SMILES notation for 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine?
The canonical SMILES for 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine is CN1CCC(/C=C/c2cncnc2)C1.
What is the InChIKey of 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine?
The InChIKey is VVRVEKIBQGFHEP-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H15N3/c1-14-5-4-10(8-14)2-3-11-6-12-9-13-7-11/h2-3,6-7,9-10H,4-5,8H2,1H3/b3-2+.
What are the key properties of 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine?
5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine is sourced from PubChem (CID 10103973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).