3-isocyanatoselanylprop-1-ene

C4H5NOSe — CID 22372934

IUPAC3-isocyanatoselanylprop-1-ene
SMILESC=CC[Se]N=C=O
InChIInChI=1S/C4H5NOSe/c1-2-3-7-5-4-6/h2H,1,3H2
InChIKeyJMABRGUQIOGNQM-UHFFFAOYSA-N
MW162.05 g/mol
LogP0.55
Rot. Bonds3

About 3-isocyanatoselanylprop-1-ene

3-isocyanatoselanylprop-1-ene (PubChem CID 22372934) has the molecular formula C4H5NOSe and a molecular weight of 162.05 g/mol. Its IUPAC name is 3-isocyanatoselanylprop-1-ene.

Molecular Properties

Compound Name3-isocyanatoselanylprop-1-ene
PubChem CID22372934
Molecular FormulaC4H5NOSe
Molecular Weight162.05 g/mol
Exact Mass162.95
IUPAC Name3-isocyanatoselanylprop-1-ene
SMILESC=CC[Se]N=C=O
InChIInChI=1S/C4H5NOSe/c1-2-3-7-5-4-6/h2H,1,3H2
InChIKeyJMABRGUQIOGNQM-UHFFFAOYSA-N
XLogP0.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.05
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

chloro(isocyanatoselanyl)methane
CID 88705730
prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride
CID 174949820
3-prop-2-enylselanylsulfanylselanylprop-1-ene
CID 87244267
ethenone;prop-2-en-1-amine
CID 173182769
isocyanatoethene;methane
CID 162270970
(1-isocyanato-1-prop-2-enoyloxypropyl) prop-2-enoate
CID 87270887
2-oxobut-3-enoyl isocyanate
CID 54312002
1-isocyanato-2-prop-2-enoxybenzene
CID 20727496
4-isocyanato-5-(2-isocyanatopent-4-enoxy)pent-1-ene
CID 141143085
[(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium
CID 162406373
diisocyanatomethane;hex-1-ene
CID 162078124
6,6-diisocyanatoundecane
CID 161043518

Frequently Asked Questions

What is the IUPAC name of 3-isocyanatoselanylprop-1-ene?
The IUPAC name of 3-isocyanatoselanylprop-1-ene (CID 22372934) is 3-isocyanatoselanylprop-1-ene.
What is the SMILES notation for 3-isocyanatoselanylprop-1-ene?
The canonical SMILES for 3-isocyanatoselanylprop-1-ene is C=CC[Se]N=C=O.
What is the InChIKey of 3-isocyanatoselanylprop-1-ene?
The InChIKey is JMABRGUQIOGNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOSe/c1-2-3-7-5-4-6/h2H,1,3H2.
What are the key properties of 3-isocyanatoselanylprop-1-ene?
3-isocyanatoselanylprop-1-ene has a molecular weight of 162.05 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanatoselanylprop-1-ene is sourced from PubChem (CID 22372934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).