carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium

C13H19NOY-2 — CID 59274990

IUPACcarbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium
SMILES[CH2-]COC1Cc2ccccc2CN1C.[CH3-].[Y]
InChIInChI=1S/C12H16NO.CH3.Y/c1-3-14-12-8-10-6-4-5-7-11(10)9-13(12)2;;/h4-7,12H,1,3,8-9H2,2H3;1H3;/q2*-1;
InChIKeyMYIORBNYGIXLHS-UHFFFAOYSA-N
MW294.21 g/mol
LogP2.30
Rot. Bonds2

About carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium

carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium (PubChem CID 59274990) has the molecular formula C13H19NOY-2 and a molecular weight of 294.21 g/mol. Its IUPAC name is carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium.

Molecular Properties

Compound Namecarbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium
PubChem CID59274990
Molecular FormulaC13H19NOY-2
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Namecarbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium
SMILES[CH2-]COC1Cc2ccccc2CN1C.[CH3-].[Y]
InChIInChI=1S/C12H16NO.CH3.Y/c1-3-14-12-8-10-6-4-5-7-11(10)9-13(12)2;;/h4-7,12H,1,3,8-9H2,2H3;1H3;/q2*-1;
InChIKeyMYIORBNYGIXLHS-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium?
The IUPAC name of carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium (CID 59274990) is carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium.
What is the SMILES notation for carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium?
The canonical SMILES for carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium is [CH2-]COC1Cc2ccccc2CN1C.[CH3-].[Y].
What is the InChIKey of carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium?
The InChIKey is MYIORBNYGIXLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO.CH3.Y/c1-3-14-12-8-10-6-4-5-7-11(10)9-13(12)2;;/h4-7,12H,1,3,8-9H2,2H3;1H3;/q2*-1;.
What are the key properties of carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium?
carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium has a molecular weight of 294.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;yttrium is sourced from PubChem (CID 59274990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).