(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol

C10H19NO2 — CID 134855574

IUPAC(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@@H](O)[C@@H]1CC[C@H](CO)N1
InChIInChI=1S/C10H19NO2/c1-2-3-4-10(13)9-6-5-8(7-12)11-9/h2,8-13H,1,3-7H2/t8-,9+,10-/m1/s1
InChIKeyLQHNLDRHXWQPDU-KXUCPTDWSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds5

About (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol

(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol (PubChem CID 134855574) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol
PubChem CID134855574
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@@H](O)[C@@H]1CC[C@H](CO)N1
InChIInChI=1S/C10H19NO2/c1-2-3-4-10(13)9-6-5-8(7-12)11-9/h2,8-13H,1,3-7H2/t8-,9+,10-/m1/s1
InChIKeyLQHNLDRHXWQPDU-KXUCPTDWSA-N
XLogP0.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-5-(oct-7-enoxymethyl)pyrrolidin-3-ol;hydrochloride
CID 145973056
(3R,5S)-5-(undec-10-enoxymethyl)pyrrolidin-3-ol;hydrochloride
CID 145977582
(3R,5S)-5-(oct-7-enoxymethyl)pyrrolidin-3-ol
CID 145946531
(3R,5S)-5-(undec-10-enoxymethyl)pyrrolidin-3-ol
CID 145948014
Iruleixilfztee-jgvffnpusa-
CID 11355528
(2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 70257535
(1R)-1-[(4S)-4-methyl-5-prop-2-enylpyrrolidin-2-yl]ethanol
CID 130455913
(2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 134574117
1-(4-Methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
CID 144653686
(1S)-1-pyrrolidin-2-ylbut-3-en-1-ol
CID 173161895
(E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol
CID 174315288
[(2S,5S)-5-prop-2-enylpyrrolidin-2-yl]methanol
CID 11029936

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol?
The IUPAC name of (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol (CID 134855574) is (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol.
What is the SMILES notation for (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol?
The canonical SMILES for (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol is C=CCC[C@@H](O)[C@@H]1CC[C@H](CO)N1.
What is the InChIKey of (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol?
The InChIKey is LQHNLDRHXWQPDU-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-10(13)9-6-5-8(7-12)11-9/h2,8-13H,1,3-7H2/t8-,9+,10-/m1/s1.
What are the key properties of (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol?
(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol is sourced from PubChem (CID 134855574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).