3-anilino-2-cyanoprop-2-enselenoamide

C10H8N3Se — CID 137183945

IUPAC—
SMILES[H]/N=C(\[Se])C(C#N)=CNc1ccccc1
InChIInChI=1S/C10H8N3Se/c11-6-8(10(12)14)7-13-9-4-2-1-3-5-9/h1-5,7,12-13H/b8-7?,12-10-
InChIKeyPSWKLPKYIYUVPE-HIFXJVIESA-N
MW249.16 g/mol
LogP1.65
Rot. Bonds3

About 3-anilino-2-cyanoprop-2-enselenoamide

3-anilino-2-cyanoprop-2-enselenoamide (PubChem CID 137183945) has the molecular formula C10H8N3Se and a molecular weight of 249.16 g/mol.

Molecular Properties

Compound Name3-anilino-2-cyanoprop-2-enselenoamide
PubChem CID137183945
Molecular FormulaC10H8N3Se
Molecular Weight249.16 g/mol
Exact Mass249.99
IUPAC Name—
SMILES[H]/N=C(\[Se])C(C#N)=CNc1ccccc1
InChIInChI=1S/C10H8N3Se/c11-6-8(10(12)14)7-13-9-4-2-1-3-5-9/h1-5,7,12-13H/b8-7?,12-10-
InChIKeyPSWKLPKYIYUVPE-HIFXJVIESA-N
XLogP1.65
TPSA59.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(anilinomethylidene)-4,4-dimethyl-3-oxopentanenitrile
CID 4069487
(E)-3-anilino-2-(4-iodobenzoyl)prop-2-enenitrile
CID 11559806
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
3-[[(Z)-3-anilino-2-cyanoprop-2-enoyl]amino]propanoic acid
CID 108817698
(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816953
3-anilino-2-(3-chlorobenzoyl)prop-2-enenitrile
CID 67024226
(E)-3-anilino-2-carbamimidoylprop-2-enoic acid
CID 136600263
[4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate
CID 154734533
4-[[(Z)-3-(4-anilinoanilino)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108823324
(Z)-2-cyano-3-(4-phenoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849606
[(E)-2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoyl]carbamic acid
CID 90197114
(Z)-3-anilino-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
CID 22302401

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-cyanoprop-2-enselenoamide?
The IUPAC name of 3-anilino-2-cyanoprop-2-enselenoamide (CID 137183945) is not available.
What is the SMILES notation for 3-anilino-2-cyanoprop-2-enselenoamide?
The canonical SMILES for 3-anilino-2-cyanoprop-2-enselenoamide is [H]/N=C(\[Se])C(C#N)=CNc1ccccc1.
What is the InChIKey of 3-anilino-2-cyanoprop-2-enselenoamide?
The InChIKey is PSWKLPKYIYUVPE-HIFXJVIESA-N. The full InChI is InChI=1S/C10H8N3Se/c11-6-8(10(12)14)7-13-9-4-2-1-3-5-9/h1-5,7,12-13H/b8-7?,12-10-.
What are the key properties of 3-anilino-2-cyanoprop-2-enselenoamide?
3-anilino-2-cyanoprop-2-enselenoamide has a molecular weight of 249.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-cyanoprop-2-enselenoamide is sourced from PubChem (CID 137183945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).