carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium

C10H19NOWY-2 — CID 59903933

IUPACcarbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium
SMILES[CH2-]CC(=O)[C@@H]1CCCN1CC.[CH3-].[W].[Y]
InChIInChI=1S/C9H16NO.CH3.W.Y/c1-3-9(11)8-6-5-7-10(8)4-2;;;/h8H,1,3-7H2,2H3;1H3;;/q2*-1;;/t8-;;;/m0.../s1
InChIKeyQWPRBMFVDKHCCP-CZDIJEQGSA-N
MW442.01 g/mol
LogP1.71
Rot. Bonds3

About carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium

carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium (PubChem CID 59903933) has the molecular formula C10H19NOWY-2 and a molecular weight of 442.01 g/mol. Its IUPAC name is carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium.

Molecular Properties

Compound Namecarbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium
PubChem CID59903933
Molecular FormulaC10H19NOWY-2
Molecular Weight442.01 g/mol
Exact Mass442.00
IUPAC Namecarbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium
SMILES[CH2-]CC(=O)[C@@H]1CCCN1CC.[CH3-].[W].[Y]
InChIInChI=1S/C9H16NO.CH3.W.Y/c1-3-9(11)8-6-5-7-10(8)4-2;;;/h8H,1,3-7H2,2H3;1H3;;/q2*-1;;/t8-;;;/m0.../s1
InChIKeyQWPRBMFVDKHCCP-CZDIJEQGSA-N
XLogP1.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 174164435
3-(1-ethylpyrrolidin-2-yl)but-3-enal
CID 117268517
1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride
CID 117266540
(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
CID 142681934
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
[(2S)-1-ethylpiperidin-2-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603872
tert-butyl 2-[(2S)-1-ethylpiperidin-2-yl]-2-oxoacetate
CID 175746898

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium?
The IUPAC name of carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium (CID 59903933) is carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium.
What is the SMILES notation for carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium?
The canonical SMILES for carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium is [CH2-]CC(=O)[C@@H]1CCCN1CC.[CH3-].[W].[Y].
What is the InChIKey of carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium?
The InChIKey is QWPRBMFVDKHCCP-CZDIJEQGSA-N. The full InChI is InChI=1S/C9H16NO.CH3.W.Y/c1-3-9(11)8-6-5-7-10(8)4-2;;;/h8H,1,3-7H2,2H3;1H3;;/q2*-1;;/t8-;;;/m0.../s1.
What are the key properties of carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium?
carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium has a molecular weight of 442.01 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium is sourced from PubChem (CID 59903933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).