(2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium

C14H17NOY-2 — CID 58553900

IUPAC(2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium
SMILES[CH2-]C1(C([NH-])=O)Cc2ccc(CCC)cc2C1.[Y]
InChIInChI=1S/C14H18NO.Y/c1-3-4-10-5-6-11-8-14(2,13(15)16)9-12(11)7-10;/h5-7H,2-4,8-9H2,1H3,(H2,15,16);/q-1;/p-1
InChIKeyBAFYATKDMYNVOW-UHFFFAOYSA-M
MW304.20 g/mol
LogP3.13
Rot. Bonds3

About (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium

(2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium (PubChem CID 58553900) has the molecular formula C14H17NOY-2 and a molecular weight of 304.20 g/mol. Its IUPAC name is (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium.

Molecular Properties

Compound Name(2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium
PubChem CID58553900
Molecular FormulaC14H17NOY-2
Molecular Weight304.20 g/mol
Exact Mass304.04
IUPAC Name(2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium
SMILES[CH2-]C1(C([NH-])=O)Cc2ccc(CCC)cc2C1.[Y]
InChIInChI=1S/C14H18NO.Y/c1-3-4-10-5-6-11-8-14(2,13(15)16)9-12(11)7-10;/h5-7H,2-4,8-9H2,1H3,(H2,15,16);/q-1;/p-1
InChIKeyBAFYATKDMYNVOW-UHFFFAOYSA-M
XLogP3.13
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium?
The IUPAC name of (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium (CID 58553900) is (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium.
What is the SMILES notation for (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium?
The canonical SMILES for (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium is [CH2-]C1(C([NH-])=O)Cc2ccc(CCC)cc2C1.[Y].
What is the InChIKey of (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium?
The InChIKey is BAFYATKDMYNVOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18NO.Y/c1-3-4-10-5-6-11-8-14(2,13(15)16)9-12(11)7-10;/h5-7H,2-4,8-9H2,1H3,(H2,15,16);/q-1;/p-1.
What are the key properties of (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium?
(2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium has a molecular weight of 304.20 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methanidyl-5-propyl-1,3-dihydroindene-2-carbonyl)azanide;yttrium is sourced from PubChem (CID 58553900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).