1,1-bis(prop-2-enyl)azetidin-1-ium

C9H16N+ — CID 22414088

IUPAC1,1-bis(prop-2-enyl)azetidin-1-ium
SMILESC=CC[N+]1(CC=C)CCC1
InChIInChI=1S/C9H16N/c1-3-6-10(7-4-2)8-5-9-10/h3-4H,1-2,5-9H2/q+1
InChIKeyFLHCNCZPSDSCIN-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.58
Rot. Bonds4

About 1,1-bis(prop-2-enyl)azetidin-1-ium

1,1-bis(prop-2-enyl)azetidin-1-ium (PubChem CID 22414088) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is 1,1-bis(prop-2-enyl)azetidin-1-ium.

Molecular Properties

Compound Name1,1-bis(prop-2-enyl)azetidin-1-ium
PubChem CID22414088
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name1,1-bis(prop-2-enyl)azetidin-1-ium
SMILESC=CC[N+]1(CC=C)CCC1
InChIInChI=1S/C9H16N/c1-3-6-10(7-4-2)8-5-9-10/h3-4H,1-2,5-9H2/q+1
InChIKeyFLHCNCZPSDSCIN-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enyl)azetidin-1-ium?
The IUPAC name of 1,1-bis(prop-2-enyl)azetidin-1-ium (CID 22414088) is 1,1-bis(prop-2-enyl)azetidin-1-ium.
What is the SMILES notation for 1,1-bis(prop-2-enyl)azetidin-1-ium?
The canonical SMILES for 1,1-bis(prop-2-enyl)azetidin-1-ium is C=CC[N+]1(CC=C)CCC1.
What is the InChIKey of 1,1-bis(prop-2-enyl)azetidin-1-ium?
The InChIKey is FLHCNCZPSDSCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-3-6-10(7-4-2)8-5-9-10/h3-4H,1-2,5-9H2/q+1.
What are the key properties of 1,1-bis(prop-2-enyl)azetidin-1-ium?
1,1-bis(prop-2-enyl)azetidin-1-ium has a molecular weight of 138.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enyl)azetidin-1-ium is sourced from PubChem (CID 22414088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).