1-Methylchloranuidylpropane

C4H10Cl- — CID 18736290

IUPAC1-methylchloranuidylpropane
SMILESCCC[Cl-]C
InChIInChI=1S/C4H10Cl/c1-3-4-5-2/h3-4H2,1-2H3/q-1
InChIKeyNIZGNXOVQLSOAL-UHFFFAOYSA-N
MW93.57 g/mol
LogP1.70
Rot. Bonds1

About 1-Methylchloranuidylpropane

1-Methylchloranuidylpropane (PubChem CID 18736290) has the molecular formula C4H10Cl- and a molecular weight of 93.57 g/mol. Its IUPAC name is 1-methylchloranuidylpropane.

Molecular Properties

Compound Name1-Methylchloranuidylpropane
PubChem CID18736290
Molecular FormulaC4H10Cl-
Molecular Weight93.57 g/mol
Exact Mass93.05
IUPAC Name1-methylchloranuidylpropane
SMILESCCC[Cl-]C
InChIInChI=1S/C4H10Cl/c1-3-4-5-2/h3-4H2,1-2H3/q-1
InChIKeyNIZGNXOVQLSOAL-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity13

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.57
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-Methylchloranuidylpropane?
The IUPAC name of 1-Methylchloranuidylpropane (CID 18736290) is 1-methylchloranuidylpropane.
What is the SMILES notation for 1-Methylchloranuidylpropane?
The canonical SMILES for 1-Methylchloranuidylpropane is CCC[Cl-]C.
What is the InChIKey of 1-Methylchloranuidylpropane?
The InChIKey is NIZGNXOVQLSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl/c1-3-4-5-2/h3-4H2,1-2H3/q-1.
What are the key properties of 1-Methylchloranuidylpropane?
1-Methylchloranuidylpropane has a molecular weight of 93.57 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methylchloranuidylpropane is sourced from PubChem (CID 18736290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).