(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol

C8H15NO — CID 168910900

IUPAC(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@@H]1CCCN1C
InChIInChI=1S/C8H15NO/c1-3-8(10)7-5-4-6-9(7)2/h3,7-8,10H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeyOHHORVMAZQBGBH-YUMQZZPRSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds2

About (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol

(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol (PubChem CID 168910900) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
PubChem CID168910900
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@@H]1CCCN1C
InChIInChI=1S/C8H15NO/c1-3-8(10)7-5-4-6-9(7)2/h3,7-8,10H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeyOHHORVMAZQBGBH-YUMQZZPRSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

1-[2-(2,2,2-Trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]hex-5-en-2-ol
CID 86779242
(2S)-1-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]hex-5-en-2-ol
CID 99848981
(2S)-1-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]hex-5-en-2-ol
CID 129381206
(2S)-1-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]hex-5-en-2-ol
CID 129445965
(2S)-1-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]hex-5-en-2-ol
CID 129445966
[(2S)-1-but-3-enylpyrrolidin-2-yl]methanol
CID 15785190
(1R)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol
CID 55286758
1-(1-Prop-2-enylpyrrolidin-2-yl)prop-2-en-1-ol
CID 75244800
(1R)-1-pyrrolidin-2-ylprop-2-en-1-ol
CID 142507396
(E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol
CID 162375504
(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 170089631
1-[(2S)-1-methylpyrrolidin-2-yl]pent-4-en-1-ol
CID 172108325

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol?
The IUPAC name of (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol (CID 168910900) is (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol is C=C[C@H](O)[C@@H]1CCCN1C.
What is the InChIKey of (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol?
The InChIKey is OHHORVMAZQBGBH-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(10)7-5-4-6-9(7)2/h3,7-8,10H,1,4-6H2,2H3/t7-,8-/m0/s1.
What are the key properties of (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol?
(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 168910900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).