(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium

C12H22NOU- — CID 163950533

IUPAC(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium
SMILESC/C(=C\C[C@@]1(C)CC[CH-]N1C)[C@H](C)O.[U]
InChIInChI=1S/C12H22NO.U/c1-10(11(2)14)6-8-12(3)7-5-9-13(12)4;/h6,9,11,14H,5,7-8H2,1-4H3;/q-1;/b10-6+;/t11-,12+;/m0./s1
InChIKeyYIUYIAIYDNYICV-XXULMBIVSA-N
MW434.34 g/mol
LogP2.35
Rot. Bonds3

About (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium

(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium (PubChem CID 163950533) has the molecular formula C12H22NOU- and a molecular weight of 434.34 g/mol. Its IUPAC name is (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium.

Molecular Properties

Compound Name(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium
PubChem CID163950533
Molecular FormulaC12H22NOU-
Molecular Weight434.34 g/mol
Exact Mass434.22
IUPAC Name(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium
SMILESC/C(=C\C[C@@]1(C)CC[CH-]N1C)[C@H](C)O.[U]
InChIInChI=1S/C12H22NO.U/c1-10(11(2)14)6-8-12(3)7-5-9-13(12)4;/h6,9,11,14H,5,7-8H2,1-4H3;/q-1;/b10-6+;/t11-,12+;/m0./s1
InChIKeyYIUYIAIYDNYICV-XXULMBIVSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium with MolForge

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Related Compounds

(1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol
CID 103971107
(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol
CID 163950534

Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium?
The IUPAC name of (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium (CID 163950533) is (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium.
What is the SMILES notation for (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium?
The canonical SMILES for (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium is C/C(=C\C[C@@]1(C)CC[CH-]N1C)[C@H](C)O.[U].
What is the InChIKey of (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium?
The InChIKey is YIUYIAIYDNYICV-XXULMBIVSA-N. The full InChI is InChI=1S/C12H22NO.U/c1-10(11(2)14)6-8-12(3)7-5-9-13(12)4;/h6,9,11,14H,5,7-8H2,1-4H3;/q-1;/b10-6+;/t11-,12+;/m0./s1.
What are the key properties of (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium?
(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium has a molecular weight of 434.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-5-id-2-yl]-3-methylpent-3-en-2-ol;uranium is sourced from PubChem (CID 163950533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).