1,1-dimethylphospholan-1-ium chloride

C6H14ClP — CID 19777739

IUPAC1,1-dimethylphospholan-1-ium chloride
SMILESC[P+]1(C)CCCC1.[Cl-]
InChIInChI=1S/C6H14P.ClH/c1-7(2)5-3-4-6-7;/h3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyBWOMIBGLJHORKG-UHFFFAOYSA-M
MW152.61 g/mol
LogP-0.94
Rot. Bonds

About 1,1-dimethylphospholan-1-ium chloride

1,1-dimethylphospholan-1-ium chloride (PubChem CID 19777739) has the molecular formula C6H14ClP and a molecular weight of 152.61 g/mol. Its IUPAC name is 1,1-dimethylphospholan-1-ium chloride.

Molecular Properties

Compound Name1,1-dimethylphospholan-1-ium chloride
PubChem CID19777739
Molecular FormulaC6H14ClP
Molecular Weight152.61 g/mol
Exact Mass152.05
IUPAC Name1,1-dimethylphospholan-1-ium chloride
SMILESC[P+]1(C)CCCC1.[Cl-]
InChIInChI=1S/C6H14P.ClH/c1-7(2)5-3-4-6-7;/h3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyBWOMIBGLJHORKG-UHFFFAOYSA-M
XLogP-0.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.61
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1-dimethylphospholan-1-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
1-bromo-1-methylphosphinan-1-ium
CID 71389385
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
3,4,5-trimethylcyclohexan-1-amine
CID 130371803
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
(1R)-1,3-dimethylcyclohexane
CID 12594306
cyclobutane;bis(1,3-dimethylcyclobutane);methanamine
CID 159698957
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 59883784
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylphospholan-1-ium chloride?
The IUPAC name of 1,1-dimethylphospholan-1-ium chloride (CID 19777739) is 1,1-dimethylphospholan-1-ium chloride.
What is the SMILES notation for 1,1-dimethylphospholan-1-ium chloride?
The canonical SMILES for 1,1-dimethylphospholan-1-ium chloride is C[P+]1(C)CCCC1.[Cl-].
What is the InChIKey of 1,1-dimethylphospholan-1-ium chloride?
The InChIKey is BWOMIBGLJHORKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14P.ClH/c1-7(2)5-3-4-6-7;/h3-6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethylphospholan-1-ium chloride?
1,1-dimethylphospholan-1-ium chloride has a molecular weight of 152.61 g/mol, XLogP of -0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylphospholan-1-ium chloride is sourced from PubChem (CID 19777739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).