4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane

C9H16BrNO — CID 130739918

IUPAC4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane
SMILESC=C(Br)CN1CCCOCC1C
InChIInChI=1S/C9H16BrNO/c1-8(10)6-11-4-3-5-12-7-9(11)2/h9H,1,3-7H2,2H3
InChIKeyIVOJHFZRCDDQHY-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.01
Rot. Bonds2

About 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane

4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane (PubChem CID 130739918) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane.

Molecular Properties

Compound Name4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane
PubChem CID130739918
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane
SMILESC=C(Br)CN1CCCOCC1C
InChIInChI=1S/C9H16BrNO/c1-8(10)6-11-4-3-5-12-7-9(11)2/h9H,1,3-7H2,2H3
InChIKeyIVOJHFZRCDDQHY-UHFFFAOYSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(2-methylidenebutyl)-1,4-oxazepane
CID 130693519
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4-(2-bromoprop-2-enyl)-3-ethylmorpholine
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4-(2-bromoprop-2-enyl)-3-cyclopropylmorpholine
CID 130660267
1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine
CID 130993309
1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
CID 115313002
(3R)-3,4-dimethyl-1,4-oxazepane
CID 67472015
1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 114338272
(3R)-3,4-dimethyl-1,4-oxazepane;ethane
CID 178147511
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
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CID 131197800

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane?
The IUPAC name of 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane (CID 130739918) is 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane.
What is the SMILES notation for 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane?
The canonical SMILES for 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane is C=C(Br)CN1CCCOCC1C.
What is the InChIKey of 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane?
The InChIKey is IVOJHFZRCDDQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-8(10)6-11-4-3-5-12-7-9(11)2/h9H,1,3-7H2,2H3.
What are the key properties of 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane?
4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane has a molecular weight of 234.14 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane is sourced from PubChem (CID 130739918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).