N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide

C9H14BrNO2 — CID 115686684

IUPACN-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide
SMILESC=C(Br)CNC(=O)C1(C)CCCO1
InChIInChI=1S/C9H14BrNO2/c1-7(10)6-11-8(12)9(2)4-3-5-13-9/h1,3-6H2,2H3,(H,11,12)
InChIKeySPXVYYUCGGDCDC-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.58
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide

N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide (PubChem CID 115686684) has the molecular formula C9H14BrNO2 and a molecular weight of 248.12 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide
PubChem CID115686684
Molecular FormulaC9H14BrNO2
Molecular Weight248.12 g/mol
Exact Mass247.02
IUPAC NameN-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide
SMILESC=C(Br)CNC(=O)C1(C)CCCO1
InChIInChI=1S/C9H14BrNO2/c1-7(10)6-11-8(12)9(2)4-3-5-13-9/h1,3-6H2,2H3,(H,11,12)
InChIKeySPXVYYUCGGDCDC-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide (CID 115686684) is N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide is C=C(Br)CNC(=O)C1(C)CCCO1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide?
The InChIKey is SPXVYYUCGGDCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2/c1-7(10)6-11-8(12)9(2)4-3-5-13-9/h1,3-6H2,2H3,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide?
N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide has a molecular weight of 248.12 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 115686684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).