8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine

C14H23NO — CID 172627955

IUPAC8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=CCC1CN2CCCC2(C2(OC)CC2)C1
InChIInChI=1S/C14H23NO/c1-3-5-12-10-13(14(16-2)7-8-14)6-4-9-15(13)11-12/h3,12H,1,4-11H2,2H3
InChIKeyITSRICNWVZCFEG-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.60
Rot. Bonds4

About 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine

8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 172627955) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID172627955
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=CCC1CN2CCCC2(C2(OC)CC2)C1
InChIInChI=1S/C14H23NO/c1-3-5-12-10-13(14(16-2)7-8-14)6-4-9-15(13)11-12/h3,12H,1,4-11H2,2H3
InChIKeyITSRICNWVZCFEG-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
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 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 172627955) is 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine is C=CCC1CN2CCCC2(C2(OC)CC2)C1.
What is the InChIKey of 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is ITSRICNWVZCFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-12-10-13(14(16-2)7-8-14)6-4-9-15(13)11-12/h3,12H,1,4-11H2,2H3.
What are the key properties of 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 221.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methoxycyclopropyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 172627955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).