(2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium

C15H19NO2Y — CID 158024680

IUPAC(2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium
SMILESCc1cc2c(c(C)c1N(C)C)CC/C2=C/C(=O)O.[Y]
InChIInChI=1S/C15H19NO2.Y/c1-9-7-13-11(8-14(17)18)5-6-12(13)10(2)15(9)16(3)4;/h7-8H,5-6H2,1-4H3,(H,17,18);/b11-8-;
InChIKeyORIVLEVSLIEUCP-MKFZHGHUSA-N
MW334.23 g/mol
LogP2.78
Rot. Bonds2

About (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium

(2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium (PubChem CID 158024680) has the molecular formula C15H19NO2Y and a molecular weight of 334.23 g/mol. Its IUPAC name is (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium.

Molecular Properties

Compound Name(2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium
PubChem CID158024680
Molecular FormulaC15H19NO2Y
Molecular Weight334.23 g/mol
Exact Mass334.05
IUPAC Name(2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium
SMILESCc1cc2c(c(C)c1N(C)C)CC/C2=C/C(=O)O.[Y]
InChIInChI=1S/C15H19NO2.Y/c1-9-7-13-11(8-14(17)18)5-6-12(13)10(2)15(9)16(3)4;/h7-8H,5-6H2,1-4H3,(H,17,18);/b11-8-;
InChIKeyORIVLEVSLIEUCP-MKFZHGHUSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium?
The IUPAC name of (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium (CID 158024680) is (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium.
What is the SMILES notation for (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium?
The canonical SMILES for (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium is Cc1cc2c(c(C)c1N(C)C)CC/C2=C/C(=O)O.[Y].
What is the InChIKey of (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium?
The InChIKey is ORIVLEVSLIEUCP-MKFZHGHUSA-N. The full InChI is InChI=1S/C15H19NO2.Y/c1-9-7-13-11(8-14(17)18)5-6-12(13)10(2)15(9)16(3)4;/h7-8H,5-6H2,1-4H3,(H,17,18);/b11-8-;.
What are the key properties of (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium?
(2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium has a molecular weight of 334.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[5-(dimethylamino)-4,6-dimethyl-2,3-dihydroinden-1-ylidene]acetic acid;yttrium is sourced from PubChem (CID 158024680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).