[(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol

C8H15NO — CID 15147735

IUPAC[(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol
SMILESC=CCN1CCC[C@H]1CO
InChIInChI=1S/C8H15NO/c1-2-5-9-6-3-4-8(9)7-10/h2,8,10H,1,3-7H2/t8-/m0/s1
InChIKeyKNHVARJOHSBMHG-QMMMGPOBSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds3

About [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol

[(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol (PubChem CID 15147735) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol
PubChem CID15147735
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol
SMILESC=CCN1CCC[C@H]1CO
InChIInChI=1S/C8H15NO/c1-2-5-9-6-3-4-8(9)7-10/h2,8,10H,1,3-7H2/t8-/m0/s1
InChIKeyKNHVARJOHSBMHG-QMMMGPOBSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol (CID 15147735) is [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol is C=CCN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol?
The InChIKey is KNHVARJOHSBMHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-5-9-6-3-4-8(9)7-10/h2,8,10H,1,3-7H2/t8-/m0/s1.
What are the key properties of [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol?
[(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-prop-2-enylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 15147735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).