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

C7H13NO — CID 71434983

IUPAC1-pyrrolidin-1-ylprop-1-en-2-ol
SMILESCC(O)=CN1CCCC1
InChIInChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h6,9H,2-5H2,1H3
InChIKeyRZVBKOFFPZGFLL-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.50
Rot. Bonds1

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

1-pyrrolidin-1-ylprop-1-en-2-ol (PubChem CID 71434983) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylprop-1-en-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-ylprop-1-en-2-ol
PubChem CID71434983
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-pyrrolidin-1-ylprop-1-en-2-ol
SMILESCC(O)=CN1CCCC1
InChIInChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h6,9H,2-5H2,1H3
InChIKeyRZVBKOFFPZGFLL-UHFFFAOYSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
CID 45085255
CID 102280621
CID 102280621

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylprop-1-en-2-ol?
The IUPAC name of 1-pyrrolidin-1-ylprop-1-en-2-ol (CID 71434983) is 1-pyrrolidin-1-ylprop-1-en-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-ylprop-1-en-2-ol?
The canonical SMILES for 1-pyrrolidin-1-ylprop-1-en-2-ol is CC(O)=CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylprop-1-en-2-ol?
The InChIKey is RZVBKOFFPZGFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h6,9H,2-5H2,1H3.
What are the key properties of 1-pyrrolidin-1-ylprop-1-en-2-ol?
1-pyrrolidin-1-ylprop-1-en-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylprop-1-en-2-ol is sourced from PubChem (CID 71434983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).