azanide;chloro(prop-2-enyl)alumanylium

C3H7AlClN — CID 88718718

IUPACazanide;chloro(prop-2-enyl)alumanylium
SMILESC=CC[Al+]Cl.[NH2-]
InChIInChI=1S/C3H5.Al.ClH.H2N/c1-3-2;;;/h3H,1-2H2;;1H;1H2/q;+2;;-1/p-1
InChIKeyKMGSCMAHLFIXGV-UHFFFAOYSA-M
MW119.53 g/mol
LogP2.17
Rot. Bonds2

About azanide;chloro(prop-2-enyl)alumanylium

azanide;chloro(prop-2-enyl)alumanylium (PubChem CID 88718718) has the molecular formula C3H7AlClN and a molecular weight of 119.53 g/mol. Its IUPAC name is azanide;chloro(prop-2-enyl)alumanylium.

Molecular Properties

Compound Nameazanide;chloro(prop-2-enyl)alumanylium
PubChem CID88718718
Molecular FormulaC3H7AlClN
Molecular Weight119.53 g/mol
Exact Mass119.01
IUPAC Nameazanide;chloro(prop-2-enyl)alumanylium
SMILESC=CC[Al+]Cl.[NH2-]
InChIInChI=1S/C3H5.Al.ClH.H2N/c1-3-2;;;/h3H,1-2H2;;1H;1H2/q;+2;;-1/p-1
InChIKeyKMGSCMAHLFIXGV-UHFFFAOYSA-M
XLogP2.17
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.53
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 azanide;chloro(prop-2-enyl)alumanylium?
The IUPAC name of azanide;chloro(prop-2-enyl)alumanylium (CID 88718718) is azanide;chloro(prop-2-enyl)alumanylium.
What is the SMILES notation for azanide;chloro(prop-2-enyl)alumanylium?
The canonical SMILES for azanide;chloro(prop-2-enyl)alumanylium is C=CC[Al+]Cl.[NH2-].
What is the InChIKey of azanide;chloro(prop-2-enyl)alumanylium?
The InChIKey is KMGSCMAHLFIXGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5.Al.ClH.H2N/c1-3-2;;;/h3H,1-2H2;;1H;1H2/q;+2;;-1/p-1.
What are the key properties of azanide;chloro(prop-2-enyl)alumanylium?
azanide;chloro(prop-2-enyl)alumanylium has a molecular weight of 119.53 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;chloro(prop-2-enyl)alumanylium is sourced from PubChem (CID 88718718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).