1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride

C10H14ClN3O2 — CID 71645191

IUPAC1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride
SMILESCl.O=C(COC1CCNC1)c1cnccn1
InChIInChI=1S/C10H13N3O2.ClH/c14-10(9-6-12-3-4-13-9)7-15-8-1-2-11-5-8;/h3-4,6,8,11H,1-2,5,7H2;1H
InChIKeyDWDJNRWAVIDMFD-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.46
Rot. Bonds4

About 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride

1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride (PubChem CID 71645191) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride.

Molecular Properties

Compound Name1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride
PubChem CID71645191
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride
SMILESCl.O=C(COC1CCNC1)c1cnccn1
InChIInChI=1S/C10H13N3O2.ClH/c14-10(9-6-12-3-4-13-9)7-15-8-1-2-11-5-8;/h3-4,6,8,11H,1-2,5,7H2;1H
InChIKeyDWDJNRWAVIDMFD-UHFFFAOYSA-N
XLogP0.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride?
The IUPAC name of 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride (CID 71645191) is 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride.
What is the SMILES notation for 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride?
The canonical SMILES for 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride is Cl.O=C(COC1CCNC1)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride?
The InChIKey is DWDJNRWAVIDMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.ClH/c14-10(9-6-12-3-4-13-9)7-15-8-1-2-11-5-8;/h3-4,6,8,11H,1-2,5,7H2;1H.
What are the key properties of 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride?
1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride is sourced from PubChem (CID 71645191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).