N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide

C10H16BrNO2 — CID 130173977

IUPACN-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide
SMILESC=C(Br)CNC(=O)C1CCOCC1C
InChIInChI=1S/C10H16BrNO2/c1-7-6-14-4-3-9(7)10(13)12-5-8(2)11/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyLTFKPKLUBNRBJM-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.68
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide

N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide (PubChem CID 130173977) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide
PubChem CID130173977
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC NameN-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide
SMILESC=C(Br)CNC(=O)C1CCOCC1C
InChIInChI=1S/C10H16BrNO2/c1-7-6-14-4-3-9(7)10(13)12-5-8(2)11/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyLTFKPKLUBNRBJM-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-methyloxan-4-yl)but-3-en-1-one
CID 130491993
N-[(2-aminocyclopentyl)methyl]-3-methyloxane-4-carboxamide
CID 114241768
N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide
CID 115647439
N-[2-(aminomethyl)cyclopentyl]-3-methyloxane-4-carboxamide
CID 114240866
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide
CID 114241726
1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114240909
2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid
CID 114240910
(2R,5S)-5-(2-bromoprop-2-enylcarbamoyl)oxolane-2-carboxylic acid
CID 102945679
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114
2-bromoprop-2-enylcarbamic acid
CID 118140795
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide (CID 130173977) is N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide is C=C(Br)CNC(=O)C1CCOCC1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide?
The InChIKey is LTFKPKLUBNRBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-7-6-14-4-3-9(7)10(13)12-5-8(2)11/h7,9H,2-6H2,1H3,(H,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide?
N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide has a molecular weight of 262.15 g/mol, XLogP of 1.68, 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)-3-methyloxane-4-carboxamide is sourced from PubChem (CID 130173977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).