[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten

C10H17NOW — CID 59375178

IUPAC[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten
SMILESCC=C/C(=C(/N)C=[W])C(C)(O)CC
InChIInChI=1S/C10H17NO.W/c1-5-7-9(8(3)11)10(4,12)6-2;/h3,5,7,12H,6,11H2,1-2,4H3;/b7-5?,9-8-;
InChIKeyALXXCMWVSWNDRN-NEZLFWPVSA-N
MW351.09 g/mol
LogP1.29
Rot. Bonds4

About [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten

[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten (PubChem CID 59375178) has the molecular formula C10H17NOW and a molecular weight of 351.09 g/mol. Its IUPAC name is [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten.

Molecular Properties

Compound Name[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten
PubChem CID59375178
Molecular FormulaC10H17NOW
Molecular Weight351.09 g/mol
Exact Mass351.08
IUPAC Name[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten
SMILESCC=C/C(=C(/N)C=[W])C(C)(O)CC
InChIInChI=1S/C10H17NO.W/c1-5-7-9(8(3)11)10(4,12)6-2;/h3,5,7,12H,6,11H2,1-2,4H3;/b7-5?,9-8-;
InChIKeyALXXCMWVSWNDRN-NEZLFWPVSA-N
XLogP1.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.09
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1-methylcyclohexa-2,4-dien-1-ol
CID 22034802
[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)
CID 59375177
4-(5-Aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol
CID 69305731
(5Z,6Z)-6-(1-aminoethylidene)-5-ethylidenecyclohexa-1,3-dien-1-ol
CID 143741357
(5E,6E)-5-(1-aminoethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-ol;ethane
CID 144298178
4-Amino-1,3-dimethylcyclohexa-2,4-dien-1-ol
CID 150112203
4-Amino-1,5-dimethylcyclohexa-2,4-dien-1-ol
CID 152014338
3-Amino-1-methylcyclohexa-2,4-dien-1-ol
CID 154274448
4-amino-1-methyl-8aH-naphthalen-1-ol
CID 166956940
(3Z,4E,6Z)-7-amino-2-methyl-3-propylidenedeca-4,6-dien-2-ol
CID 169928499
2-Amino-4-butylidene-1,3-dimethylcyclohexa-2,5-dien-1-ol
CID 174692231
(5E,6E)-5-(1-aminoethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-ol
CID 144298179

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten?
The IUPAC name of [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten (CID 59375178) is [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten.
What is the SMILES notation for [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten?
The canonical SMILES for [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten is CC=C/C(=C(/N)C=[W])C(C)(O)CC.
What is the InChIKey of [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten?
The InChIKey is ALXXCMWVSWNDRN-NEZLFWPVSA-N. The full InChI is InChI=1S/C10H17NO.W/c1-5-7-9(8(3)11)10(4,12)6-2;/h3,5,7,12H,6,11H2,1-2,4H3;/b7-5?,9-8-;.
What are the key properties of [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten?
[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten has a molecular weight of 351.09 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten is sourced from PubChem (CID 59375178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).