(Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine

C10H12N2O — CID 6447242

IUPAC(Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine
SMILESC=CCO/N=C\c1ccncc1C
InChIInChI=1S/C10H12N2O/c1-3-6-13-12-8-10-4-5-11-7-9(10)2/h3-5,7-8H,1,6H2,2H3/b12-8-
InChIKeyCWVWILIKKMHQDN-WQLSENKSSA-N
MW176.22 g/mol
LogP1.93
Rot. Bonds4

About (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine

(Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine (PubChem CID 6447242) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine.

Molecular Properties

Compound Name(Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine
PubChem CID6447242
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine
SMILESC=CCO/N=C\c1ccncc1C
InChIInChI=1S/C10H12N2O/c1-3-6-13-12-8-10-4-5-11-7-9(10)2/h3-5,7-8H,1,6H2,2H3/b12-8-
InChIKeyCWVWILIKKMHQDN-WQLSENKSSA-N
XLogP1.93
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine?
The IUPAC name of (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine (CID 6447242) is (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine.
What is the SMILES notation for (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine?
The canonical SMILES for (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine is C=CCO/N=C\c1ccncc1C.
What is the InChIKey of (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine?
The InChIKey is CWVWILIKKMHQDN-WQLSENKSSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-6-13-12-8-10-4-5-11-7-9(10)2/h3-5,7-8H,1,6H2,2H3/b12-8-.
What are the key properties of (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine?
(Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine has a molecular weight of 176.22 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine is sourced from PubChem (CID 6447242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).