CID 59102292

C5H4NOSe — CID 59102292

IUPAC—
SMILES[C-]#[N+]/C(=C/[Se])C(C)=O
InChIInChI=1S/C5H4NOSe/c1-4(7)5(3-8)6-2/h3H,1H3/b5-3+
InChIKeyKGIQQHPOIJKRBJ-HWKANZROSA-N
MW173.05 g/mol
LogP0.50
Rot. Bonds1

About CID 59102292

CID 59102292 (PubChem CID 59102292) has the molecular formula C5H4NOSe and a molecular weight of 173.05 g/mol.

Molecular Properties

Compound NameCID 59102292
PubChem CID59102292
Molecular FormulaC5H4NOSe
Molecular Weight173.05 g/mol
Exact Mass173.95
IUPAC Name—
SMILES[C-]#[N+]/C(=C/[Se])C(C)=O
InChIInChI=1S/C5H4NOSe/c1-4(7)5(3-8)6-2/h3H,1H3/b5-3+
InChIKeyKGIQQHPOIJKRBJ-HWKANZROSA-N
XLogP0.50
TPSA21.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.05
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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4-[(Z)-2-isocyano-3-oxobut-1-enyl]benzonitrile
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CID 22977822
ethyl (Z)-2-isocyanobut-2-enoate
CID 23399253
sodium (Z)-2-isocyano-4-oxopent-2-en-3-olate
CID 22977821
diethyl 2-isocyanobut-2-enedioate
CID 59075433
4-methylpent-3-enyl 2-isocyanoacetate
CID 55265308
3-iminopentane-2,4-dione
CID 22149455
propanoyl isocyanide
CID 59306289
(E)-1-isocyanoprop-1-ene
CID 643195
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one
CID 101043004
(E)-3,5-dimethylhept-4-en-2-one
CID 87291087

Frequently Asked Questions

What is the IUPAC name of CID 59102292?
The IUPAC name of CID 59102292 (CID 59102292) is not available.
What is the SMILES notation for CID 59102292?
The canonical SMILES for CID 59102292 is [C-]#[N+]/C(=C/[Se])C(C)=O.
What is the InChIKey of CID 59102292?
The InChIKey is KGIQQHPOIJKRBJ-HWKANZROSA-N. The full InChI is InChI=1S/C5H4NOSe/c1-4(7)5(3-8)6-2/h3H,1H3/b5-3+.
What are the key properties of CID 59102292?
CID 59102292 has a molecular weight of 173.05 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102292 is sourced from PubChem (CID 59102292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).