2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one

C10H13BrO2 — CID 15602453

IUPAC2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one
SMILESC=C(Br)CC1=C(OC)CCCC1=O
InChIInChI=1S/C10H13BrO2/c1-7(11)6-8-9(12)4-3-5-10(8)13-2/h1,3-6H2,2H3
InChIKeyMJYWTQCBFCDMRT-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.94
Rot. Bonds3

About 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one

2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one (PubChem CID 15602453) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one
PubChem CID15602453
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one
SMILESC=C(Br)CC1=C(OC)CCCC1=O
InChIInChI=1S/C10H13BrO2/c1-7(11)6-8-9(12)4-3-5-10(8)13-2/h1,3-6H2,2H3
InChIKeyMJYWTQCBFCDMRT-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one?
The IUPAC name of 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one (CID 15602453) is 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one.
What is the SMILES notation for 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one?
The canonical SMILES for 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one is C=C(Br)CC1=C(OC)CCCC1=O.
What is the InChIKey of 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one?
The InChIKey is MJYWTQCBFCDMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-7(11)6-8-9(12)4-3-5-10(8)13-2/h1,3-6H2,2H3.
What are the key properties of 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one?
2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one has a molecular weight of 245.12 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enyl)-3-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 15602453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).