(5-prop-2-enylpyrrolidin-2-yl)methanol

C8H15NO — CID 85373351

IUPAC(5-prop-2-enylpyrrolidin-2-yl)methanol
SMILESC=CCC1CCC(CO)N1
InChIInChI=1S/C8H15NO/c1-2-3-7-4-5-8(6-10)9-7/h2,7-10H,1,3-6H2
InChIKeyDHMLBCJCZSXNEZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds3

About (5-prop-2-enylpyrrolidin-2-yl)methanol

(5-prop-2-enylpyrrolidin-2-yl)methanol (PubChem CID 85373351) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (5-prop-2-enylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(5-prop-2-enylpyrrolidin-2-yl)methanol
PubChem CID85373351
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(5-prop-2-enylpyrrolidin-2-yl)methanol
SMILESC=CCC1CCC(CO)N1
InChIInChI=1S/C8H15NO/c1-2-3-7-4-5-8(6-10)9-7/h2,7-10H,1,3-6H2
InChIKeyDHMLBCJCZSXNEZ-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol
CID 134855574
(3R,5S)-5-(oct-7-enoxymethyl)pyrrolidin-3-ol
CID 145946531
(2S)-2-(oct-7-enoxymethyl)pyrrolidine
CID 145946658
cis-2-Allylpyrrolidin-5-ol
CID 559551
Iruleixilfztee-jgvffnpusa-
CID 11355528
(1R)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol
CID 55286758
[(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol
CID 55287065
(3R,5R)-5-prop-2-enylpyrrolidin-3-ol
CID 96005172
(1R)-1-[(4S)-4-methyl-5-prop-2-enylpyrrolidin-2-yl]ethanol
CID 130455913
(1R)-1-pyrrolidin-2-ylprop-2-en-1-ol
CID 142507396
1-(4-Methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
CID 144653686
(1S)-1-pyrrolidin-2-ylbut-3-en-1-ol
CID 173161895

Frequently Asked Questions

What is the IUPAC name of (5-prop-2-enylpyrrolidin-2-yl)methanol?
The IUPAC name of (5-prop-2-enylpyrrolidin-2-yl)methanol (CID 85373351) is (5-prop-2-enylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (5-prop-2-enylpyrrolidin-2-yl)methanol?
The canonical SMILES for (5-prop-2-enylpyrrolidin-2-yl)methanol is C=CCC1CCC(CO)N1.
What is the InChIKey of (5-prop-2-enylpyrrolidin-2-yl)methanol?
The InChIKey is DHMLBCJCZSXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-7-4-5-8(6-10)9-7/h2,7-10H,1,3-6H2.
What are the key properties of (5-prop-2-enylpyrrolidin-2-yl)methanol?
(5-prop-2-enylpyrrolidin-2-yl)methanol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-prop-2-enylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 85373351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).