2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline

C12H19NOW — CID 161486052

IUPAC2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline
SMILESC.C=CCc1ccccc1N.OCC=[W]
InChIInChI=1S/C9H11N.C2H4O.CH4.W/c1-2-5-8-6-3-4-7-9(8)10;1-2-3;;/h2-4,6-7H,1,5,10H2;1,3H,2H2;1H4;
InChIKeyHKMVBUUFWIFXJR-UHFFFAOYSA-N
MW377.13 g/mol
LogP1.96
Rot. Bonds3

About 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline

2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline (PubChem CID 161486052) has the molecular formula C12H19NOW and a molecular weight of 377.13 g/mol. Its IUPAC name is 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline.

Molecular Properties

Compound Name2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline
PubChem CID161486052
Molecular FormulaC12H19NOW
Molecular Weight377.13 g/mol
Exact Mass377.10
IUPAC Name2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline
SMILESC.C=CCc1ccccc1N.OCC=[W]
InChIInChI=1S/C9H11N.C2H4O.CH4.W/c1-2-5-8-6-3-4-7-9(8)10;1-2-3;;/h2-4,6-7H,1,5,10H2;1,3H,2H2;1H4;
InChIKeyHKMVBUUFWIFXJR-UHFFFAOYSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.13
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enylaniline
CID 3036592
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591
3-prop-2-enylpyridin-2-amine
CID 22022139
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
2-(2-aminophenyl)acetaldehyde;hydrochloride
CID 87322292
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
prop-2-enyl 2-(2-aminophenyl)acetate
CID 67741343
(E)-5-(2-aminophenyl)pent-3-en-2-one
CID 23503586
2-pent-4-enylaniline
CID 57134945
(4-prop-2-enylnaphthalen-1-yl)methanol
CID 177415182
boric acid;2-prop-2-enylphenol
CID 70457137
1-(2-prop-2-enylphenyl)ethanol
CID 10749513

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline?
The IUPAC name of 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline (CID 161486052) is 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline.
What is the SMILES notation for 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline?
The canonical SMILES for 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline is C.C=CCc1ccccc1N.OCC=[W].
What is the InChIKey of 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline?
The InChIKey is HKMVBUUFWIFXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H4O.CH4.W/c1-2-5-8-6-3-4-7-9(8)10;1-2-3;;/h2-4,6-7H,1,5,10H2;1,3H,2H2;1H4;.
What are the key properties of 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline?
2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline has a molecular weight of 377.13 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline is sourced from PubChem (CID 161486052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).