N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide

C10H18BrNO2 — CID 114823158

IUPACN-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide
SMILESCC(Br)CN(C)C(=O)C1COC(C)C1
InChIInChI=1S/C10H18BrNO2/c1-7(11)5-12(3)10(13)9-4-8(2)14-6-9/h7-9H,4-6H2,1-3H3
InChIKeyLAUNHMOBPBFWEL-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.65
Rot. Bonds3

About N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide

N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide (PubChem CID 114823158) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide
PubChem CID114823158
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC NameN-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide
SMILESCC(Br)CN(C)C(=O)C1COC(C)C1
InChIInChI=1S/C10H18BrNO2/c1-7(11)5-12(3)10(13)9-4-8(2)14-6-9/h7-9H,4-6H2,1-3H3
InChIKeyLAUNHMOBPBFWEL-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.65
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-bromopropyl)-N,5-dimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide (CID 114823158) is N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide is CC(Br)CN(C)C(=O)C1COC(C)C1.
What is the InChIKey of N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide?
The InChIKey is LAUNHMOBPBFWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-7(11)5-12(3)10(13)9-4-8(2)14-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide?
N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide has a molecular weight of 264.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 114823158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).