1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one

C14H21N3O2 — CID 55156621

IUPAC1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESO=c1c(N2CCCC2CCCO)nccn1C1CC1
InChIInChI=1S/C14H21N3O2/c18-10-2-4-11-3-1-8-16(11)13-14(19)17(9-7-15-13)12-5-6-12/h7,9,11-12,18H,1-6,8,10H2
InChIKeySQVOALULNLUZEX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.32
Rot. Bonds5

About 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one

1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one (PubChem CID 55156621) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one
PubChem CID55156621
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESO=c1c(N2CCCC2CCCO)nccn1C1CC1
InChIInChI=1S/C14H21N3O2/c18-10-2-4-11-3-1-8-16(11)13-14(19)17(9-7-15-13)12-5-6-12/h7,9,11-12,18H,1-6,8,10H2
InChIKeySQVOALULNLUZEX-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one (CID 55156621) is 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one is O=c1c(N2CCCC2CCCO)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one?
The InChIKey is SQVOALULNLUZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-10-2-4-11-3-1-8-16(11)13-14(19)17(9-7-15-13)12-5-6-12/h7,9,11-12,18H,1-6,8,10H2.
What are the key properties of 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one?
1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 55156621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).