(3R,5S)-5-prop-2-enylpyrrolidin-3-ol

C7H13NO — CID 55300778

IUPAC(3R,5S)-5-prop-2-enylpyrrolidin-3-ol
SMILESC=CC[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C7H13NO/c1-2-3-6-4-7(9)5-8-6/h2,6-9H,1,3-5H2/t6-,7+/m0/s1
InChIKeyALXOFKXJTYVDEE-NKWVEPMBSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds2

About (3R,5S)-5-prop-2-enylpyrrolidin-3-ol

(3R,5S)-5-prop-2-enylpyrrolidin-3-ol (PubChem CID 55300778) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R,5S)-5-prop-2-enylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-prop-2-enylpyrrolidin-3-ol
PubChem CID55300778
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R,5S)-5-prop-2-enylpyrrolidin-3-ol
SMILESC=CC[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C7H13NO/c1-2-3-6-4-7(9)5-8-6/h2,6-9H,1,3-5H2/t6-,7+/m0/s1
InChIKeyALXOFKXJTYVDEE-NKWVEPMBSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 52
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 (3R,5S)-5-prop-2-enylpyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-prop-2-enylpyrrolidin-3-ol (CID 55300778) is (3R,5S)-5-prop-2-enylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-prop-2-enylpyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-prop-2-enylpyrrolidin-3-ol is C=CC[C@H]1C[C@@H](O)CN1.
What is the InChIKey of (3R,5S)-5-prop-2-enylpyrrolidin-3-ol?
The InChIKey is ALXOFKXJTYVDEE-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-6-4-7(9)5-8-6/h2,6-9H,1,3-5H2/t6-,7+/m0/s1.
What are the key properties of (3R,5S)-5-prop-2-enylpyrrolidin-3-ol?
(3R,5S)-5-prop-2-enylpyrrolidin-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-prop-2-enylpyrrolidin-3-ol is sourced from PubChem (CID 55300778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).