N-(2-chloropropyl)-N-methyloxolane-3-carboxamide

C9H16ClNO2 — CID 63393904

IUPACN-(2-chloropropyl)-N-methyloxolane-3-carboxamide
SMILESCC(Cl)CN(C)C(=O)C1CCOC1
InChIInChI=1S/C9H16ClNO2/c1-7(10)5-11(2)9(12)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3
InChIKeyPGKNDDWJYPJJDX-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.11
Rot. Bonds3

About N-(2-chloropropyl)-N-methyloxolane-3-carboxamide

N-(2-chloropropyl)-N-methyloxolane-3-carboxamide (PubChem CID 63393904) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is N-(2-chloropropyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N-methyloxolane-3-carboxamide
PubChem CID63393904
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC NameN-(2-chloropropyl)-N-methyloxolane-3-carboxamide
SMILESCC(Cl)CN(C)C(=O)C1CCOC1
InChIInChI=1S/C9H16ClNO2/c1-7(10)5-11(2)9(12)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3
InChIKeyPGKNDDWJYPJJDX-UHFFFAOYSA-N
XLogP1.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-chloropropyl)-N-methyloxolane-3-carboxamide (CID 63393904) is N-(2-chloropropyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-N-methyloxolane-3-carboxamide is CC(Cl)CN(C)C(=O)C1CCOC1.
What is the InChIKey of N-(2-chloropropyl)-N-methyloxolane-3-carboxamide?
The InChIKey is PGKNDDWJYPJJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-7(10)5-11(2)9(12)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-N-methyloxolane-3-carboxamide?
N-(2-chloropropyl)-N-methyloxolane-3-carboxamide has a molecular weight of 205.68 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 63393904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).