1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine

C12H21NO — CID 91359624

IUPAC1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1C1CCOCC1
InChIInChI=1S/C12H21NO/c1-10(2)12-4-3-7-13(12)11-5-8-14-9-6-11/h11-12H,1,3-9H2,2H3
InChIKeyPPQOIOITXZFLGM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds2

About 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine

1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine (PubChem CID 91359624) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine
PubChem CID91359624
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1C1CCOCC1
InChIInChI=1S/C12H21NO/c1-10(2)12-4-3-7-13(12)11-5-8-14-9-6-11/h11-12H,1,3-9H2,2H3
InChIKeyPPQOIOITXZFLGM-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine
CID 90836604
1-(Oxan-3-ylmethyl)-2-prop-1-en-2-ylpyrrolidine
CID 90928920
1-(4-Prop-1-en-2-yloxan-4-yl)pyrrolidine
CID 156244582
N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine
CID 163516266
3-Methylidene-1-(2-methyloxolan-3-yl)piperidine
CID 130666291
3-Methylidene-1-(oxan-4-yl)piperidine
CID 131067423

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine (CID 91359624) is 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine is C=C(C)C1CCCN1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine?
The InChIKey is PPQOIOITXZFLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)12-4-3-7-13(12)11-5-8-14-9-6-11/h11-12H,1,3-9H2,2H3.
What are the key properties of 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine?
1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 91359624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).