carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium

C16H23NOY-2 — CID 147012728

IUPACcarbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium
SMILESCCCC(C(=O)c1cc[c-]cc1)N1CCCC1.[CH3-].[Y]
InChIInChI=1S/C15H20NO.CH3.Y/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13;;/h4-5,9-10,14H,2,6-8,11-12H2,1H3;1H3;/q2*-1;
InChIKeyLCHWXHGQWLWJBJ-UHFFFAOYSA-N
MW334.27 g/mol
LogP3.38
Rot. Bonds5

About carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium

carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium (PubChem CID 147012728) has the molecular formula C16H23NOY-2 and a molecular weight of 334.27 g/mol. Its IUPAC name is carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium.

Molecular Properties

Compound Namecarbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium
PubChem CID147012728
Molecular FormulaC16H23NOY-2
Molecular Weight334.27 g/mol
Exact Mass334.08
IUPAC Namecarbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium
SMILESCCCC(C(=O)c1cc[c-]cc1)N1CCCC1.[CH3-].[Y]
InChIInChI=1S/C15H20NO.CH3.Y/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13;;/h4-5,9-10,14H,2,6-8,11-12H2,1H3;1H3;/q2*-1;
InChIKeyLCHWXHGQWLWJBJ-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.38
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

(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
CID 11515769
4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile
CID 11550626
1-(4-prop-1-ynylphenyl)-2-pyrrolidin-1-ylpentan-1-one
CID 11594677
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
CID 117065161
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
CID 125181338
1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
CID 11716875
2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one
CID 71721462
2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one
CID 11515772
ethyl 4-(2-pyrrolidin-1-ylhexanoyl)benzoate
CID 6423083
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylheptan-1-one
CID 102144586
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145

Frequently Asked Questions

What is the IUPAC name of carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium?
The IUPAC name of carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium (CID 147012728) is carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium.
What is the SMILES notation for carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium?
The canonical SMILES for carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium is CCCC(C(=O)c1cc[c-]cc1)N1CCCC1.[CH3-].[Y].
What is the InChIKey of carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium?
The InChIKey is LCHWXHGQWLWJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO.CH3.Y/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13;;/h4-5,9-10,14H,2,6-8,11-12H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium?
carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium has a molecular weight of 334.27 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium is sourced from PubChem (CID 147012728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).