(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol

C7H13NO — CID 45085255

IUPAC(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
SMILESC/C(O)=C/N1CCCC1
InChIInChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h6,9H,2-5H2,1H3/b7-6-
InChIKeyRZVBKOFFPZGFLL-SREVYHEPSA-N
MW127.19 g/mol
LogP1.50
Rot. Bonds1

About (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol

(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol (PubChem CID 45085255) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
PubChem CID45085255
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
SMILESC/C(O)=C/N1CCCC1
InChIInChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h6,9H,2-5H2,1H3/b7-6-
InChIKeyRZVBKOFFPZGFLL-SREVYHEPSA-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

1-Propen-2-OL, 1-(1-pyrrolidinyl)-
CID 71434983
CID 102280621
CID 102280621

Frequently Asked Questions

What is the IUPAC name of (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol?
The IUPAC name of (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol (CID 45085255) is (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol.
What is the SMILES notation for (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol?
The canonical SMILES for (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol is C/C(O)=C/N1CCCC1.
What is the InChIKey of (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol?
The InChIKey is RZVBKOFFPZGFLL-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h6,9H,2-5H2,1H3/b7-6-.
What are the key properties of (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol?
(Z)-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 (Z)-1-pyrrolidin-1-ylprop-1-en-2-ol is sourced from PubChem (CID 45085255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).