ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium

C13H25NOY-2 — CID 160820743

IUPACethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium
SMILESC[N-]C(=O)CC(C)[C@H]1CC[C@@H](C)C1.[CH2-]C.[Y]
InChIInChI=1S/C11H21NO.C2H5.Y/c1-8-4-5-10(6-8)9(2)7-11(13)12-3;1-2;/h8-10H,4-7H2,1-3H3,(H,12,13);1H2,2H3;/q;-1;/p-1/t8-,9?,10+;;/m1../s1
InChIKeyLZUZEEAOXQQQFF-YNLXVRNASA-M
MW300.26 g/mol
LogP3.82
Rot. Bonds3

About ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium

ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium (PubChem CID 160820743) has the molecular formula C13H25NOY-2 and a molecular weight of 300.26 g/mol. Its IUPAC name is ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium.

Molecular Properties

Compound Nameethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium
PubChem CID160820743
Molecular FormulaC13H25NOY-2
Molecular Weight300.26 g/mol
Exact Mass300.10
IUPAC Nameethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium
SMILESC[N-]C(=O)CC(C)[C@H]1CC[C@@H](C)C1.[CH2-]C.[Y]
InChIInChI=1S/C11H21NO.C2H5.Y/c1-8-4-5-10(6-8)9(2)7-11(13)12-3;1-2;/h8-10H,4-7H2,1-3H3,(H,12,13);1H2,2H3;/q;-1;/p-1/t8-,9?,10+;;/m1../s1
InChIKeyLZUZEEAOXQQQFF-YNLXVRNASA-M
XLogP3.82
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-methylcyclopentyl)propan-1-ol
CID 14039414
1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
CID 162271463
4-(3,5-dimethylcyclohexyl)pentan-2-one
CID 64729153
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
1-(3-methylcyclopentyl)ethanol
CID 12501270
[(1R,3S)-3-methylcyclopentyl]methanediol
CID 163440646
5-methyl-1-(3-methylcyclopentyl)hexan-1-ol
CID 83161755
2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)heptan-4-one
CID 21245671
ethyl 3-cyclopropylbutanoate
CID 47078610
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium
CID 158402603

Frequently Asked Questions

What is the IUPAC name of ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium?
The IUPAC name of ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium (CID 160820743) is ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium.
What is the SMILES notation for ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium?
The canonical SMILES for ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium is C[N-]C(=O)CC(C)[C@H]1CC[C@@H](C)C1.[CH2-]C.[Y].
What is the InChIKey of ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium?
The InChIKey is LZUZEEAOXQQQFF-YNLXVRNASA-M. The full InChI is InChI=1S/C11H21NO.C2H5.Y/c1-8-4-5-10(6-8)9(2)7-11(13)12-3;1-2;/h8-10H,4-7H2,1-3H3,(H,12,13);1H2,2H3;/q;-1;/p-1/t8-,9?,10+;;/m1../s1.
What are the key properties of ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium?
ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium has a molecular weight of 300.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium is sourced from PubChem (CID 160820743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).