phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium

C16H21N2OY- — CID 59376085

IUPACphenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium
SMILESO=C(c1cc[c-]cc1)N1CCC[C@H]1CN1CCCC1.[Y]
InChIInChI=1S/C16H21N2O.Y/c19-16(14-7-2-1-3-8-14)18-12-6-9-15(18)13-17-10-4-5-11-17;/h2-3,7-8,15H,4-6,9-13H2;/q-1;/t15-;/m0./s1
InChIKeyLBXSWNPTRASVAX-RSAXXLAASA-N
MW346.26 g/mol
LogP2.18
Rot. Bonds3

About phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium

phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium (PubChem CID 59376085) has the molecular formula C16H21N2OY- and a molecular weight of 346.26 g/mol. Its IUPAC name is phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium.

Molecular Properties

Compound Namephenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium
PubChem CID59376085
Molecular FormulaC16H21N2OY-
Molecular Weight346.26 g/mol
Exact Mass346.07
IUPAC Namephenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium
SMILESO=C(c1cc[c-]cc1)N1CCC[C@H]1CN1CCCC1.[Y]
InChIInChI=1S/C16H21N2O.Y/c19-16(14-7-2-1-3-8-14)18-12-6-9-15(18)13-17-10-4-5-11-17;/h2-3,7-8,15H,4-6,9-13H2;/q-1;/t15-;/m0./s1
InChIKeyLBXSWNPTRASVAX-RSAXXLAASA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium?
The IUPAC name of phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium (CID 59376085) is phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium.
What is the SMILES notation for phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium?
The canonical SMILES for phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium is O=C(c1cc[c-]cc1)N1CCC[C@H]1CN1CCCC1.[Y].
What is the InChIKey of phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium?
The InChIKey is LBXSWNPTRASVAX-RSAXXLAASA-N. The full InChI is InChI=1S/C16H21N2O.Y/c19-16(14-7-2-1-3-8-14)18-12-6-9-15(18)13-17-10-4-5-11-17;/h2-3,7-8,15H,4-6,9-13H2;/q-1;/t15-;/m0./s1.
What are the key properties of phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium?
phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium has a molecular weight of 346.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;yttrium is sourced from PubChem (CID 59376085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).