3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine

C16H33ClN2O — CID 158606290

IUPAC3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine
SMILESC.NCCCN1CCCC1.O=C(Cl)CCC1CCCC1
InChIInChI=1S/C8H13ClO.C7H16N2.CH4/c9-8(10)6-5-7-3-1-2-4-7;8-4-3-7-9-5-1-2-6-9;/h7H,1-6H2;1-8H2;1H4
InChIKeyHWGRGCYIVFUVRC-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.79
Rot. Bonds6

About 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine

3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 158606290) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine
PubChem CID158606290
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC Name3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine
SMILESC.NCCCN1CCCC1.O=C(Cl)CCC1CCCC1
InChIInChI=1S/C8H13ClO.C7H16N2.CH4/c9-8(10)6-5-7-3-1-2-4-7;8-4-3-7-9-5-1-2-6-9;/h7H,1-6H2;1-8H2;1H4
InChIKeyHWGRGCYIVFUVRC-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine (CID 158606290) is 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine is C.NCCCN1CCCC1.O=C(Cl)CCC1CCCC1.
What is the InChIKey of 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is HWGRGCYIVFUVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO.C7H16N2.CH4/c9-8(10)6-5-7-3-1-2-4-7;8-4-3-7-9-5-1-2-6-9;/h7H,1-6H2;1-8H2;1H4.
What are the key properties of 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine?
3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 304.91 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 158606290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).