(Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one

C12H24GaNO — CID 166498032

IUPAC(Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one
SMILESCCCN(/C(=C\C(=O)CC)CC)[Ga](C)C
InChIInChI=1S/C10H19NO.2CH3.Ga/c1-4-7-11-9(5-2)8-10(12)6-3;;;/h8H,4-7H2,1-3H3,(H,11,12);2*1H3;/q;;;+1/p-1
InChIKeyNYVKBRXRSACNGD-UHFFFAOYSA-M
MW268.05 g/mol
LogP3.22
Rot. Bonds7

About (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one

(Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one (PubChem CID 166498032) has the molecular formula C12H24GaNO and a molecular weight of 268.05 g/mol. Its IUPAC name is (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one
PubChem CID166498032
Molecular FormulaC12H24GaNO
Molecular Weight268.05 g/mol
Exact Mass267.11
IUPAC Name(Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one
SMILESCCCN(/C(=C\C(=O)CC)CC)[Ga](C)C
InChIInChI=1S/C10H19NO.2CH3.Ga/c1-4-7-11-9(5-2)8-10(12)6-3;;;/h8H,4-7H2,1-3H3,(H,11,12);2*1H3;/q;;;+1/p-1
InChIKeyNYVKBRXRSACNGD-UHFFFAOYSA-M
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one?
The IUPAC name of (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one (CID 166498032) is (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one.
What is the SMILES notation for (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one?
The canonical SMILES for (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one is CCCN(/C(=C\C(=O)CC)CC)[Ga](C)C.
What is the InChIKey of (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one?
The InChIKey is NYVKBRXRSACNGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO.2CH3.Ga/c1-4-7-11-9(5-2)8-10(12)6-3;;;/h8H,4-7H2,1-3H3,(H,11,12);2*1H3;/q;;;+1/p-1.
What are the key properties of (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one?
(Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one has a molecular weight of 268.05 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one is sourced from PubChem (CID 166498032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).