2-prop-2-enylaniline;yttrium

C9H10NY- — CID 58219768

IUPAC2-prop-2-enylaniline;yttrium
SMILES[H]/[C-]=C\Cc1ccccc1N.[Y]
InChIInChI=1S/C9H10N.Y/c1-2-5-8-6-3-4-7-9(8)10;/h1-4,6-7H,5,10H2;/q-1;
InChIKeyNHBFQQHJODPFPD-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.80
Rot. Bonds2

About 2-prop-2-enylaniline;yttrium

2-prop-2-enylaniline;yttrium (PubChem CID 58219768) has the molecular formula C9H10NY- and a molecular weight of 221.09 g/mol. Its IUPAC name is 2-prop-2-enylaniline;yttrium.

Molecular Properties

Compound Name2-prop-2-enylaniline;yttrium
PubChem CID58219768
Molecular FormulaC9H10NY-
Molecular Weight221.09 g/mol
Exact Mass220.99
IUPAC Name2-prop-2-enylaniline;yttrium
SMILES[H]/[C-]=C\Cc1ccccc1N.[Y]
InChIInChI=1S/C9H10N.Y/c1-2-5-8-6-3-4-7-9(8)10;/h1-4,6-7H,5,10H2;/q-1;
InChIKeyNHBFQQHJODPFPD-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylaniline;yttrium?
The IUPAC name of 2-prop-2-enylaniline;yttrium (CID 58219768) is 2-prop-2-enylaniline;yttrium.
What is the SMILES notation for 2-prop-2-enylaniline;yttrium?
The canonical SMILES for 2-prop-2-enylaniline;yttrium is [H]/[C-]=C\Cc1ccccc1N.[Y].
What is the InChIKey of 2-prop-2-enylaniline;yttrium?
The InChIKey is NHBFQQHJODPFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N.Y/c1-2-5-8-6-3-4-7-9(8)10;/h1-4,6-7H,5,10H2;/q-1;.
What are the key properties of 2-prop-2-enylaniline;yttrium?
2-prop-2-enylaniline;yttrium has a molecular weight of 221.09 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylaniline;yttrium is sourced from PubChem (CID 58219768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).