N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium

C8H14N2OY-2 — CID 59984983

IUPACN-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium
SMILES[C-]1=NCCC1.[CH2-]CC(=O)NC.[Y]
InChIInChI=1S/C4H8NO.C4H6N.Y/c1-3-4(6)5-2;1-2-4-5-3-1;/h1,3H2,2H3,(H,5,6);1-3H2;/q2*-1;
InChIKeyQWJHAKQQOGEOIS-UHFFFAOYSA-N
MW243.12 g/mol
LogP0.68
Rot. Bonds1

About N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium

N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium (PubChem CID 59984983) has the molecular formula C8H14N2OY-2 and a molecular weight of 243.12 g/mol. Its IUPAC name is N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium.

Molecular Properties

Compound NameN-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium
PubChem CID59984983
Molecular FormulaC8H14N2OY-2
Molecular Weight243.12 g/mol
Exact Mass243.02
IUPAC NameN-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium
SMILES[C-]1=NCCC1.[CH2-]CC(=O)NC.[Y]
InChIInChI=1S/C4H8NO.C4H6N.Y/c1-3-4(6)5-2;1-2-4-5-3-1;/h1,3H2,2H3,(H,5,6);1-3H2;/q2*-1;
InChIKeyQWJHAKQQOGEOIS-UHFFFAOYSA-N
XLogP0.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 50.68
H-Bond Donors ≤ 51
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 N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium?
The IUPAC name of N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium (CID 59984983) is N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium.
What is the SMILES notation for N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium?
The canonical SMILES for N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium is [C-]1=NCCC1.[CH2-]CC(=O)NC.[Y].
What is the InChIKey of N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium?
The InChIKey is QWJHAKQQOGEOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO.C4H6N.Y/c1-3-4(6)5-2;1-2-4-5-3-1;/h1,3H2,2H3,(H,5,6);1-3H2;/q2*-1;.
What are the key properties of N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium?
N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium has a molecular weight of 243.12 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropanamide;2,3,4,5-tetrahydropyrrol-5-ide;yttrium is sourced from PubChem (CID 59984983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).