[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol

C10H19NO — CID 102119727

IUPAC[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
SMILESCC/C=C/CN1CCC[C@H]1CO
InChIInChI=1S/C10H19NO/c1-2-3-4-7-11-8-5-6-10(11)9-12/h3-4,10,12H,2,5-9H2,1H3/b4-3+/t10-/m0/s1
InChIKeyWBDPYRLQAQHSBK-FSIBCCDJSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds4

About [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol (PubChem CID 102119727) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
PubChem CID102119727
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
SMILESCC/C=C/CN1CCC[C@H]1CO
InChIInChI=1S/C10H19NO/c1-2-3-4-7-11-8-5-6-10(11)9-12/h3-4,10,12H,2,5-9H2,1H3/b4-3+/t10-/m0/s1
InChIKeyWBDPYRLQAQHSBK-FSIBCCDJSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-but-2-enylpyrrolidin-2-yl)methanol
CID 76932279
ethyl (E)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]but-2-enoate
CID 80549696
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
CID 143677973
4-(2-ethylpyrrolidin-1-yl)but-2-enoic acid
CID 76940947
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
(1-ethylazepan-2-yl)methanol
CID 2849413
[(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol
CID 82929584
[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
CID 79028743
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol (CID 102119727) is [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol is CC/C=C/CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol?
The InChIKey is WBDPYRLQAQHSBK-FSIBCCDJSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-7-11-8-5-6-10(11)9-12/h3-4,10,12H,2,5-9H2,1H3/b4-3+/t10-/m0/s1.
What are the key properties of [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102119727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).