deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium

C12H23NOY-2 — CID 59597481

IUPACdeuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium
SMILESC=C1CC[C@H](CC[C@@H](O)CC)N1[CH2-].[2H][CH2-].[Y]
InChIInChI=1S/C11H20NO.CH3.Y/c1-4-11(13)8-7-10-6-5-9(2)12(10)3;;/h10-11,13H,2-8H2,1H3;1H3;/q2*-1;/t10-,11+;;/m1../s1/i;1D;
InChIKeyCLNRGLKAZQPCKO-YRZSWVFPSA-N
MW287.23 g/mol
LogP2.75
Rot. Bonds4

About deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium

deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium (PubChem CID 59597481) has the molecular formula C12H23NOY-2 and a molecular weight of 287.23 g/mol. Its IUPAC name is deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium.

Molecular Properties

Compound Namedeuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium
PubChem CID59597481
Molecular FormulaC12H23NOY-2
Molecular Weight287.23 g/mol
Exact Mass287.09
IUPAC Namedeuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium
SMILESC=C1CC[C@H](CC[C@@H](O)CC)N1[CH2-].[2H][CH2-].[Y]
InChIInChI=1S/C11H20NO.CH3.Y/c1-4-11(13)8-7-10-6-5-9(2)12(10)3;;/h10-11,13H,2-8H2,1H3;1H3;/q2*-1;/t10-,11+;;/m1../s1/i;1D;
InChIKeyCLNRGLKAZQPCKO-YRZSWVFPSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.75
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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Related Compounds

CID 59808920
CID 59808920
(3S)-1-[(2R)-1-methyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol
CID 59597482

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium?
The IUPAC name of deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium (CID 59597481) is deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium.
What is the SMILES notation for deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium?
The canonical SMILES for deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium is C=C1CC[C@H](CC[C@@H](O)CC)N1[CH2-].[2H][CH2-].[Y].
What is the InChIKey of deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium?
The InChIKey is CLNRGLKAZQPCKO-YRZSWVFPSA-N. The full InChI is InChI=1S/C11H20NO.CH3.Y/c1-4-11(13)8-7-10-6-5-9(2)12(10)3;;/h10-11,13H,2-8H2,1H3;1H3;/q2*-1;/t10-,11+;;/m1../s1/i;1D;.
What are the key properties of deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium?
deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium has a molecular weight of 287.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;(3S)-1-[(2R)-1-methanidyl-5-methylidenepyrrolidin-2-yl]pentan-3-ol;yttrium is sourced from PubChem (CID 59597481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).