N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide

C10H18BrNO2 — CID 104556256

IUPACN-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide
SMILESCC(CBr)N(C)C(=O)C1(C)CCCO1
InChIInChI=1S/C10H18BrNO2/c1-8(7-11)12(3)9(13)10(2)5-4-6-14-10/h8H,4-7H2,1-3H3
InChIKeyCYRIMRZKBPUBRI-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.80
Rot. Bonds3

About N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide

N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide (PubChem CID 104556256) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide
PubChem CID104556256
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC NameN-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide
SMILESCC(CBr)N(C)C(=O)C1(C)CCCO1
InChIInChI=1S/C10H18BrNO2/c1-8(7-11)12(3)9(13)10(2)5-4-6-14-10/h8H,4-7H2,1-3H3
InChIKeyCYRIMRZKBPUBRI-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide (CID 104556256) is N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide is CC(CBr)N(C)C(=O)C1(C)CCCO1.
What is the InChIKey of N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide?
The InChIKey is CYRIMRZKBPUBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-8(7-11)12(3)9(13)10(2)5-4-6-14-10/h8H,4-7H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide?
N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide has a molecular weight of 264.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 104556256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).