(1-pyridin-4-ylethylideneamino) acetate

C9H10N2O2 — CID 585758

IUPAC(1-pyridin-4-ylethylideneamino) acetate
SMILESCC(=O)ON=C(C)c1ccncc1
InChIInChI=1S/C9H10N2O2/c1-7(11-13-8(2)12)9-3-5-10-6-4-9/h3-6H,1-2H3
InChIKeyPCLGAVYMUIMQDC-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.37
Rot. Bonds2

About (1-pyridin-4-ylethylideneamino) acetate

(1-pyridin-4-ylethylideneamino) acetate (PubChem CID 585758) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (1-pyridin-4-ylethylideneamino) acetate.

Molecular Properties

Compound Name(1-pyridin-4-ylethylideneamino) acetate
PubChem CID585758
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(1-pyridin-4-ylethylideneamino) acetate
SMILESCC(=O)ON=C(C)c1ccncc1
InChIInChI=1S/C9H10N2O2/c1-7(11-13-8(2)12)9-3-5-10-6-4-9/h3-6H,1-2H3
InChIKeyPCLGAVYMUIMQDC-UHFFFAOYSA-N
XLogP1.37
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate
CID 71948520
2-(1-pyridin-4-ylethylideneamino)oxyacetic acid
CID 77013247
[(E)-1-pyridin-4-ylethylideneamino] 2-bromobenzoate
CID 17365757
[(E)-1-pyridin-4-ylethylideneamino] 3-bromobenzoate
CID 7774465
[(E)-1-(3-cyano-4-pyridinyl)ethylideneamino] acetate
CID 118511288
[(E)-1-(3,4-dichlorophenyl)ethylideneamino] acetate
CID 138968191
[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate
CID 6250549
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
propan-2-one;pyridine-4-carboxamide
CID 174689468
2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
CID 15857248
(1-naphthalen-2-ylethylideneamino) acetate
CID 54130886

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylethylideneamino) acetate?
The IUPAC name of (1-pyridin-4-ylethylideneamino) acetate (CID 585758) is (1-pyridin-4-ylethylideneamino) acetate.
What is the SMILES notation for (1-pyridin-4-ylethylideneamino) acetate?
The canonical SMILES for (1-pyridin-4-ylethylideneamino) acetate is CC(=O)ON=C(C)c1ccncc1.
What is the InChIKey of (1-pyridin-4-ylethylideneamino) acetate?
The InChIKey is PCLGAVYMUIMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7(11-13-8(2)12)9-3-5-10-6-4-9/h3-6H,1-2H3.
What are the key properties of (1-pyridin-4-ylethylideneamino) acetate?
(1-pyridin-4-ylethylideneamino) acetate has a molecular weight of 178.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylethylideneamino) acetate is sourced from PubChem (CID 585758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).