N-anilino-2-oxopropanimidoyl cyanide

C10H9N3O — CID 830615

IUPACN-anilino-2-oxopropanimidoyl cyanide
SMILESCC(=O)C(C#N)=NNc1ccccc1
InChIInChI=1S/C10H9N3O/c1-8(14)10(7-11)13-12-9-5-3-2-4-6-9/h2-6,12H,1H3
InChIKeyOHHMFUWOGBCGKS-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.57
Rot. Bonds3

About N-anilino-2-oxopropanimidoyl cyanide

N-anilino-2-oxopropanimidoyl cyanide (PubChem CID 830615) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-anilino-2-oxopropanimidoyl cyanide.

Molecular Properties

Compound NameN-anilino-2-oxopropanimidoyl cyanide
PubChem CID830615
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-anilino-2-oxopropanimidoyl cyanide
SMILESCC(=O)C(C#N)=NNc1ccccc1
InChIInChI=1S/C10H9N3O/c1-8(14)10(7-11)13-12-9-5-3-2-4-6-9/h2-6,12H,1H3
InChIKeyOHHMFUWOGBCGKS-UHFFFAOYSA-N
XLogP1.57
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylanilino)-2-oxopropanimidoyl cyanide
CID 563292
(1E)-N-anilino-2-cyclononyl-2-oxoethanimidoyl cyanide
CID 138502235
(1E)-N-anilino-2-oxo-2-(1H-pyrrol-2-yl)ethanimidoyl cyanide
CID 24741662
N'-anilino-2-oxopropanimidamide
CID 6340113
(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide
CID 12526358
4-[(E)-C-acetyl-N-anilinocarbonimidoyl]benzonitrile
CID 123575192
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
(1E)-N-(3-acetylanilino)-2-amino-2-oxoethanimidoyl cyanide
CID 5392743
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
(1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide
CID 21065185
methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 5361255
(1E)-N-(3-acetylanilino)-2-amino-2-sulfanylideneethanimidoyl cyanide
CID 5420075

Frequently Asked Questions

What is the IUPAC name of N-anilino-2-oxopropanimidoyl cyanide?
The IUPAC name of N-anilino-2-oxopropanimidoyl cyanide (CID 830615) is N-anilino-2-oxopropanimidoyl cyanide.
What is the SMILES notation for N-anilino-2-oxopropanimidoyl cyanide?
The canonical SMILES for N-anilino-2-oxopropanimidoyl cyanide is CC(=O)C(C#N)=NNc1ccccc1.
What is the InChIKey of N-anilino-2-oxopropanimidoyl cyanide?
The InChIKey is OHHMFUWOGBCGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-8(14)10(7-11)13-12-9-5-3-2-4-6-9/h2-6,12H,1H3.
What are the key properties of N-anilino-2-oxopropanimidoyl cyanide?
N-anilino-2-oxopropanimidoyl cyanide has a molecular weight of 187.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilino-2-oxopropanimidoyl cyanide is sourced from PubChem (CID 830615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).