2-pyrrolidin-3-ylprop-2-en-1-ol

C7H13NO — CID 117266639

IUPAC2-pyrrolidin-3-ylprop-2-en-1-ol
SMILESC=C(CO)C1CCNC1
InChIInChI=1S/C7H13NO/c1-6(5-9)7-2-3-8-4-7/h7-9H,1-5H2
InChIKeyKYYMZNYDJCDEIF-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.14
Rot. Bonds2

About 2-pyrrolidin-3-ylprop-2-en-1-ol

2-pyrrolidin-3-ylprop-2-en-1-ol (PubChem CID 117266639) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylprop-2-en-1-ol.

Molecular Properties

Compound Name2-pyrrolidin-3-ylprop-2-en-1-ol
PubChem CID117266639
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-pyrrolidin-3-ylprop-2-en-1-ol
SMILESC=C(CO)C1CCNC1
InChIInChI=1S/C7H13NO/c1-6(5-9)7-2-3-8-4-7/h7-9H,1-5H2
InChIKeyKYYMZNYDJCDEIF-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
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 2-pyrrolidin-3-ylprop-2-en-1-ol?
The IUPAC name of 2-pyrrolidin-3-ylprop-2-en-1-ol (CID 117266639) is 2-pyrrolidin-3-ylprop-2-en-1-ol.
What is the SMILES notation for 2-pyrrolidin-3-ylprop-2-en-1-ol?
The canonical SMILES for 2-pyrrolidin-3-ylprop-2-en-1-ol is C=C(CO)C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylprop-2-en-1-ol?
The InChIKey is KYYMZNYDJCDEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(5-9)7-2-3-8-4-7/h7-9H,1-5H2.
What are the key properties of 2-pyrrolidin-3-ylprop-2-en-1-ol?
2-pyrrolidin-3-ylprop-2-en-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylprop-2-en-1-ol is sourced from PubChem (CID 117266639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).