(1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)

C15H21NO2U — CID 153357481

IUPAC(1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)
SMILES[CH2-]COc1[c-]cc([C@@H](O)CCN2CCCC2)cc1.[U+2]
InChIInChI=1S/C15H21NO2.U/c1-2-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-4-11-16;/h5-7,15,17H,1-4,9-12H2;/q-2;+2/t15-;/m0./s1
InChIKeyZPEDFRKVBBPQHM-RSAXXLAASA-N
MW485.37 g/mol
LogP2.22
Rot. Bonds6

About (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)

(1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+) (PubChem CID 153357481) has the molecular formula C15H21NO2U and a molecular weight of 485.37 g/mol. Its IUPAC name is (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+).

Molecular Properties

Compound Name(1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)
PubChem CID153357481
Molecular FormulaC15H21NO2U
Molecular Weight485.37 g/mol
Exact Mass485.21
IUPAC Name(1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)
SMILES[CH2-]COc1[c-]cc([C@@H](O)CCN2CCCC2)cc1.[U+2]
InChIInChI=1S/C15H21NO2.U/c1-2-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-4-11-16;/h5-7,15,17H,1-4,9-12H2;/q-2;+2/t15-;/m0./s1
InChIKeyZPEDFRKVBBPQHM-RSAXXLAASA-N
XLogP2.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+) with MolForge

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Related Compounds

(4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol
CID 144811357
(1R)-1-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 71131219
1-(2,3,4a,5-Tetrahydro-1,4-benzodioxin-7-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 118402920
4-Ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 123749955
(1S)-1-(4-methoxycyclohexa-1,5-dien-1-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 132152326
4-(1-Hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol
CID 143615592
2-methyl-1-[(6Z,8E)-10-methylidene-3,5-dihydro-2H-1,4-dioxecin-8-yl]-3-pyrrolidin-1-ylpropan-1-ol
CID 146385742

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)?
The IUPAC name of (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+) (CID 153357481) is (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+).
What is the SMILES notation for (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)?
The canonical SMILES for (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+) is [CH2-]COc1[c-]cc([C@@H](O)CCN2CCCC2)cc1.[U+2].
What is the InChIKey of (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)?
The InChIKey is ZPEDFRKVBBPQHM-RSAXXLAASA-N. The full InChI is InChI=1S/C15H21NO2.U/c1-2-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-4-11-16;/h5-7,15,17H,1-4,9-12H2;/q-2;+2/t15-;/m0./s1.
What are the key properties of (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)?
(1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+) has a molecular weight of 485.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+) is sourced from PubChem (CID 153357481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).