(2S,5S)-5-prop-2-enylpyrrolidin-2-ol

C7H13NO — CID 22214804

IUPAC(2S,5S)-5-prop-2-enylpyrrolidin-2-ol
SMILESC=CC[C@@H]1CC[C@H](O)N1
InChIInChI=1S/C7H13NO/c1-2-3-6-4-5-7(9)8-6/h2,6-9H,1,3-5H2/t6-,7+/m1/s1
InChIKeyAQSQGBYLLOALMS-RQJHMYQMSA-N
MW127.19 g/mol
LogP0.63
Rot. Bonds2

About (2S,5S)-5-prop-2-enylpyrrolidin-2-ol

(2S,5S)-5-prop-2-enylpyrrolidin-2-ol (PubChem CID 22214804) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2S,5S)-5-prop-2-enylpyrrolidin-2-ol.

Molecular Properties

Compound Name(2S,5S)-5-prop-2-enylpyrrolidin-2-ol
PubChem CID22214804
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2S,5S)-5-prop-2-enylpyrrolidin-2-ol
SMILESC=CC[C@@H]1CC[C@H](O)N1
InChIInChI=1S/C7H13NO/c1-2-3-6-4-5-7(9)8-6/h2,6-9H,1,3-5H2/t6-,7+/m1/s1
InChIKeyAQSQGBYLLOALMS-RQJHMYQMSA-N
XLogP0.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.63
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

cis-2-Allylpyrrolidin-5-ol
CID 559551
(3R,5R)-5-prop-2-enylpyrrolidin-3-ol
CID 96005172
5-Ethenylpyrrolidin-2-ol
CID 124013584
[(2S,5S)-5-prop-2-enylpyrrolidin-2-yl]methanol
CID 11029936
5-Prop-2-enylpyrrolidin-3-ol
CID 12791695
(3R,5S)-5-prop-2-enylpyrrolidin-3-ol
CID 55300778
(5R)-5-prop-2-enylpyrrolidin-3-ol
CID 55303246
(5-Prop-2-enylpyrrolidin-2-yl)methanol
CID 85373351
6-(Hex-5-en-2-ylamino)hexan-1-ol
CID 104583758
4-(Hept-6-enylamino)pentan-1-ol
CID 107006967
6-(Pent-4-en-2-ylamino)hexan-1-ol
CID 107703620
(5-Ethenylpyrrolidin-2-yl)methanol
CID 130043979

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-prop-2-enylpyrrolidin-2-ol?
The IUPAC name of (2S,5S)-5-prop-2-enylpyrrolidin-2-ol (CID 22214804) is (2S,5S)-5-prop-2-enylpyrrolidin-2-ol.
What is the SMILES notation for (2S,5S)-5-prop-2-enylpyrrolidin-2-ol?
The canonical SMILES for (2S,5S)-5-prop-2-enylpyrrolidin-2-ol is C=CC[C@@H]1CC[C@H](O)N1.
What is the InChIKey of (2S,5S)-5-prop-2-enylpyrrolidin-2-ol?
The InChIKey is AQSQGBYLLOALMS-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-6-4-5-7(9)8-6/h2,6-9H,1,3-5H2/t6-,7+/m1/s1.
What are the key properties of (2S,5S)-5-prop-2-enylpyrrolidin-2-ol?
(2S,5S)-5-prop-2-enylpyrrolidin-2-ol has a molecular weight of 127.19 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-prop-2-enylpyrrolidin-2-ol is sourced from PubChem (CID 22214804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).