1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine

C15H25NO — CID 163901539

IUPAC1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine
SMILESC=CCC1CC(N2CCCC2)OCCC2CC21
InChIInChI=1S/C15H25NO/c1-2-5-12-11-15(16-7-3-4-8-16)17-9-6-13-10-14(12)13/h2,12-15H,1,3-11H2
InChIKeyQKGWMHDGSBCUFF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.05
Rot. Bonds3

About 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine

1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine (PubChem CID 163901539) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine.

Molecular Properties

Compound Name1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine
PubChem CID163901539
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine
SMILESC=CCC1CC(N2CCCC2)OCCC2CC21
InChIInChI=1S/C15H25NO/c1-2-5-12-11-15(16-7-3-4-8-16)17-9-6-13-10-14(12)13/h2,12-15H,1,3-11H2
InChIKeyQKGWMHDGSBCUFF-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.05
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

(2-prop-2-enylcyclopropyl)cyclopentane
CID 154518505
(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 76850671
(4-prop-2-enyloxan-2-yl)silane
CID 173307911
3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 130151853
2-prop-2-enylpiperidin-1-amine
CID 67216893
7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 146263836
1-prop-2-enyl-3-[3-(3-prop-2-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)pentan-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123797885
4-ethyl-1-(oxetan-2-yl)piperidine
CID 167509047
3-chloro-2-prop-2-enyloxolane
CID 13494562
4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane
CID 56842963
2-prop-2-enyl-(213C)1,3-dioxolane
CID 173279538
cis-(1S,2R)-2-prop-2-enylcyclopentan-1-amine
CID 52897209

Frequently Asked Questions

What is the IUPAC name of 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine?
The IUPAC name of 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine (CID 163901539) is 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine.
What is the SMILES notation for 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine?
The canonical SMILES for 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine is C=CCC1CC(N2CCCC2)OCCC2CC21.
What is the InChIKey of 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine?
The InChIKey is QKGWMHDGSBCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-5-12-11-15(16-7-3-4-8-16)17-9-6-13-10-14(12)13/h2,12-15H,1,3-11H2.
What are the key properties of 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine?
1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine has a molecular weight of 235.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine is sourced from PubChem (CID 163901539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).