[2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium

C16H31NOY-2 — CID 159130762

IUPAC[2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium
SMILESCC.C[N-]C(=O)C1CC1[C@H]1CC[C@@H](C)[C@H]1C.[CH2-]C.[Y]
InChIInChI=1S/C12H21NO.C2H6.C2H5.Y/c1-7-4-5-9(8(7)2)10-6-11(10)12(14)13-3;2*1-2;/h7-11H,4-6H2,1-3H3,(H,13,14);1-2H3;1H2,2H3;/q;;-1;/p-1/t7-,8-,9+,10?,11?;;;/m1.../s1
InChIKeyLADFWIGQPCKQPG-JEULBHIESA-M
MW342.34 g/mol
LogP4.70
Rot. Bonds2

About [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium

[2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium (PubChem CID 159130762) has the molecular formula C16H31NOY-2 and a molecular weight of 342.34 g/mol. Its IUPAC name is [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium.

Molecular Properties

Compound Name[2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium
PubChem CID159130762
Molecular FormulaC16H31NOY-2
Molecular Weight342.34 g/mol
Exact Mass342.15
IUPAC Name[2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium
SMILESCC.C[N-]C(=O)C1CC1[C@H]1CC[C@@H](C)[C@H]1C.[CH2-]C.[Y]
InChIInChI=1S/C12H21NO.C2H6.C2H5.Y/c1-7-4-5-9(8(7)2)10-6-11(10)12(14)13-3;2*1-2;/h7-11H,4-6H2,1-3H3,(H,13,14);1-2H3;1H2,2H3;/q;;-1;/p-1/t7-,8-,9+,10?,11?;;;/m1.../s1
InChIKeyLADFWIGQPCKQPG-JEULBHIESA-M
XLogP4.70
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.70
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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Related Compounds

1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635
3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoyl-methylazanide;ethane;ethane;tungsten;yttrium
CID 158402603
cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide
CID 121339938
(1S,2R,3S,4S)-3,4-dimethylcyclohexane-1,2-dicarboxylic acid
CID 130754496
1,2-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 143144045
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
(1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid
CID 44722597
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
CID 124510186

Frequently Asked Questions

What is the IUPAC name of [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium?
The IUPAC name of [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium (CID 159130762) is [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium.
What is the SMILES notation for [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium?
The canonical SMILES for [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium is CC.C[N-]C(=O)C1CC1[C@H]1CC[C@@H](C)[C@H]1C.[CH2-]C.[Y].
What is the InChIKey of [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium?
The InChIKey is LADFWIGQPCKQPG-JEULBHIESA-M. The full InChI is InChI=1S/C12H21NO.C2H6.C2H5.Y/c1-7-4-5-9(8(7)2)10-6-11(10)12(14)13-3;2*1-2;/h7-11H,4-6H2,1-3H3,(H,13,14);1-2H3;1H2,2H3;/q;;-1;/p-1/t7-,8-,9+,10?,11?;;;/m1.../s1.
What are the key properties of [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium?
[2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium has a molecular weight of 342.34 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]cyclopropanecarbonyl]-methylazanide;ethane;ethane;yttrium is sourced from PubChem (CID 159130762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).