carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium

C9H21NOY-2 — CID 156718689

IUPACcarbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium
SMILESCC.CC1C[N-]CCOC1.[CH3-].[Y]
InChIInChI=1S/C6H12NO.C2H6.CH3.Y/c1-6-4-7-2-3-8-5-6;1-2;;/h6H,2-5H2,1H3;1-2H3;1H3;/q-1;;-1;
InChIKeyYEYVQXHXGDBXKI-UHFFFAOYSA-N
MW248.18 g/mol
LogP2.50
Rot. Bonds

About carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium

carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium (PubChem CID 156718689) has the molecular formula C9H21NOY-2 and a molecular weight of 248.18 g/mol. Its IUPAC name is carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium
PubChem CID156718689
Molecular FormulaC9H21NOY-2
Molecular Weight248.18 g/mol
Exact Mass248.07
IUPAC Namecarbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium
SMILESCC.CC1C[N-]CCOC1.[CH3-].[Y]
InChIInChI=1S/C6H12NO.C2H6.CH3.Y/c1-6-4-7-2-3-8-5-6;1-2;;/h6H,2-5H2,1H3;1-2H3;1H3;/q-1;;-1;
InChIKeyYEYVQXHXGDBXKI-UHFFFAOYSA-N
XLogP2.50
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium?
The IUPAC name of carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium (CID 156718689) is carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium.
What is the SMILES notation for carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium?
The canonical SMILES for carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium is CC.CC1C[N-]CCOC1.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium?
The InChIKey is YEYVQXHXGDBXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO.C2H6.CH3.Y/c1-6-4-7-2-3-8-5-6;1-2;;/h6H,2-5H2,1H3;1-2H3;1H3;/q-1;;-1;.
What are the key properties of carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium?
carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium has a molecular weight of 248.18 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;6-methyl-1-oxa-4-azanidacycloheptane;yttrium is sourced from PubChem (CID 156718689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).