1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde

C8H14N2O — CID 145460703

IUPAC1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde
SMILES[H]/N=C(\C)N1C(C)CC1(C)C=O
InChIInChI=1S/C8H14N2O/c1-6-4-8(3,5-11)10(6)7(2)9/h5-6,9H,4H2,1-3H3/b9-7+
InChIKeyNSMYDUDWPXIMAV-VQHVLOKHSA-N
MW154.21 g/mol
LogP1.04
Rot. Bonds1

About 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde

1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde (PubChem CID 145460703) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde.

Molecular Properties

Compound Name1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde
PubChem CID145460703
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde
SMILES[H]/N=C(\C)N1C(C)CC1(C)C=O
InChIInChI=1S/C8H14N2O/c1-6-4-8(3,5-11)10(6)7(2)9/h5-6,9H,4H2,1-3H3/b9-7+
InChIKeyNSMYDUDWPXIMAV-VQHVLOKHSA-N
XLogP1.04
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde?
The IUPAC name of 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde (CID 145460703) is 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde.
What is the SMILES notation for 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde?
The canonical SMILES for 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde is [H]/N=C(\C)N1C(C)CC1(C)C=O.
What is the InChIKey of 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde?
The InChIKey is NSMYDUDWPXIMAV-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-4-8(3,5-11)10(6)7(2)9/h5-6,9H,4H2,1-3H3/b9-7+.
What are the key properties of 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde?
1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-2,4-dimethylazetidine-2-carbaldehyde is sourced from PubChem (CID 145460703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).