1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine

C12H13N3O — CID 23992700

IUPAC1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine
SMILESCOCC1=CC=C(/C=N/c2cnccn2)C1
InChIInChI=1S/C12H13N3O/c1-16-9-11-3-2-10(6-11)7-15-12-8-13-4-5-14-12/h2-5,7-8H,6,9H2,1H3/b15-7+
InChIKeyBMRJSXFFYGXDNV-VIZOYTHASA-N
MW215.26 g/mol
LogP2.08
Rot. Bonds4

About 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine

1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine (PubChem CID 23992700) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine
PubChem CID23992700
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine
SMILESCOCC1=CC=C(/C=N/c2cnccn2)C1
InChIInChI=1S/C12H13N3O/c1-16-9-11-3-2-10(6-11)7-15-12-8-13-4-5-14-12/h2-5,7-8H,6,9H2,1H3/b15-7+
InChIKeyBMRJSXFFYGXDNV-VIZOYTHASA-N
XLogP2.08
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine?
The IUPAC name of 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine (CID 23992700) is 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine.
What is the SMILES notation for 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine?
The canonical SMILES for 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine is COCC1=CC=C(/C=N/c2cnccn2)C1.
What is the InChIKey of 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine?
The InChIKey is BMRJSXFFYGXDNV-VIZOYTHASA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-9-11-3-2-10(6-11)7-15-12-8-13-4-5-14-12/h2-5,7-8H,6,9H2,1H3/b15-7+.
What are the key properties of 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine?
1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine has a molecular weight of 215.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)cyclopenta-1,3-dien-1-yl]-N-pyrazin-2-ylmethanimine is sourced from PubChem (CID 23992700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).