(3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium

C14H20NOU- — CID 153405641

IUPAC(3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium
SMILESCCCCN1CC[C@@H](Oc2cc[c-]cc2)C1.[U]
InChIInChI=1S/C14H20NO.U/c1-2-3-10-15-11-9-14(12-15)16-13-7-5-4-6-8-13;/h5-8,14H,2-3,9-12H2,1H3;/q-1;/t14-;/m1./s1
InChIKeyHHHICPXFVPGWEP-PFEQFJNWSA-N
MW456.35 g/mol
LogP2.74
Rot. Bonds5

About (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium

(3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium (PubChem CID 153405641) has the molecular formula C14H20NOU- and a molecular weight of 456.35 g/mol. Its IUPAC name is (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium.

Molecular Properties

Compound Name(3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium
PubChem CID153405641
Molecular FormulaC14H20NOU-
Molecular Weight456.35 g/mol
Exact Mass456.21
IUPAC Name(3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium
SMILESCCCCN1CC[C@@H](Oc2cc[c-]cc2)C1.[U]
InChIInChI=1S/C14H20NO.U/c1-2-3-10-15-11-9-14(12-15)16-13-7-5-4-6-8-13;/h5-8,14H,2-3,9-12H2,1H3;/q-1;/t14-;/m1./s1
InChIKeyHHHICPXFVPGWEP-PFEQFJNWSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 52.74
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 (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium?
The IUPAC name of (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium (CID 153405641) is (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium.
What is the SMILES notation for (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium?
The canonical SMILES for (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium is CCCCN1CC[C@@H](Oc2cc[c-]cc2)C1.[U].
What is the InChIKey of (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium?
The InChIKey is HHHICPXFVPGWEP-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H20NO.U/c1-2-3-10-15-11-9-14(12-15)16-13-7-5-4-6-8-13;/h5-8,14H,2-3,9-12H2,1H3;/q-1;/t14-;/m1./s1.
What are the key properties of (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium?
(3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium has a molecular weight of 456.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-(phenoxy)pyrrolidine;uranium is sourced from PubChem (CID 153405641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).