1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde

C11H10N2O2 — CID 6900129

IUPAC1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde
SMILESCc1c(/C=N/O)c2ccccn2c1C=O
InChIInChI=1S/C11H10N2O2/c1-8-9(6-12-15)10-4-2-3-5-13(10)11(8)7-14/h2-7,15H,1H3/b12-6+
InChIKeyAPXUOFDQASUNGH-WUXMJOGZSA-N
MW202.21 g/mol
LogP1.87
Rot. Bonds2

About 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde

1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde (PubChem CID 6900129) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde
PubChem CID6900129
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde
SMILESCc1c(/C=N/O)c2ccccn2c1C=O
InChIInChI=1S/C11H10N2O2/c1-8-9(6-12-15)10-4-2-3-5-13(10)11(8)7-14/h2-7,15H,1H3/b12-6+
InChIKeyAPXUOFDQASUNGH-WUXMJOGZSA-N
XLogP1.87
TPSA54.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde?
The IUPAC name of 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde (CID 6900129) is 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde?
The canonical SMILES for 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde is Cc1c(/C=N/O)c2ccccn2c1C=O.
What is the InChIKey of 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde?
The InChIKey is APXUOFDQASUNGH-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-9(6-12-15)10-4-2-3-5-13(10)11(8)7-14/h2-7,15H,1H3/b12-6+.
What are the key properties of 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde?
1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hydroxyiminomethyl]-2-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 6900129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).