N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide

C12H22BrNO2 — CID 106169685

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide
SMILESCCC(C)(CCBr)NC(=O)C1(C)CCCO1
InChIInChI=1S/C12H22BrNO2/c1-4-11(2,7-8-13)14-10(15)12(3)6-5-9-16-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyLPRWOZDODDGZHI-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.63
Rot. Bonds5

About N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide

N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide (PubChem CID 106169685) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide
PubChem CID106169685
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide
SMILESCCC(C)(CCBr)NC(=O)C1(C)CCCO1
InChIInChI=1S/C12H22BrNO2/c1-4-11(2,7-8-13)14-10(15)12(3)6-5-9-16-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyLPRWOZDODDGZHI-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
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-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide (CID 106169685) is N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide is CCC(C)(CCBr)NC(=O)C1(C)CCCO1.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide?
The InChIKey is LPRWOZDODDGZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-4-11(2,7-8-13)14-10(15)12(3)6-5-9-16-12/h4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide?
N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide has a molecular weight of 292.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 106169685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).