[(2S)-1-but-3-enylpyrrolidin-2-yl]methanol

C9H17NO — CID 15785190

IUPAC[(2S)-1-but-3-enylpyrrolidin-2-yl]methanol
SMILESC=CCCN1CCC[C@H]1CO
InChIInChI=1S/C9H17NO/c1-2-3-6-10-7-4-5-9(10)8-11/h2,9,11H,1,3-8H2/t9-/m0/s1
InChIKeyJTSSWXMLYFTGLN-VIFPVBQESA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds4

About [(2S)-1-but-3-enylpyrrolidin-2-yl]methanol

[(2S)-1-but-3-enylpyrrolidin-2-yl]methanol (PubChem CID 15785190) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(2S)-1-but-3-enylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-but-3-enylpyrrolidin-2-yl]methanol
PubChem CID15785190
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(2S)-1-but-3-enylpyrrolidin-2-yl]methanol
SMILESC=CCCN1CCC[C@H]1CO
InChIInChI=1S/C9H17NO/c1-2-3-6-10-7-4-5-9(10)8-11/h2,9,11H,1,3-8H2/t9-/m0/s1
InChIKeyJTSSWXMLYFTGLN-VIFPVBQESA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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-but-3-enylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-but-3-enylpyrrolidin-2-yl]methanol (CID 15785190) is [(2S)-1-but-3-enylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-but-3-enylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-but-3-enylpyrrolidin-2-yl]methanol is C=CCCN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-but-3-enylpyrrolidin-2-yl]methanol?
The InChIKey is JTSSWXMLYFTGLN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-6-10-7-4-5-9(10)8-11/h2,9,11H,1,3-8H2/t9-/m0/s1.
What are the key properties of [(2S)-1-but-3-enylpyrrolidin-2-yl]methanol?
[(2S)-1-but-3-enylpyrrolidin-2-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-but-3-enylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 15785190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).