(Z)-3-bromonon-2-enoic acid

C9H15BrO2 — CID 20847750

IUPAC(Z)-3-bromonon-2-enoic acid
SMILESCCCCCC/C(Br)=C/C(=O)O
InChIInChI=1S/C9H15BrO2/c1-2-3-4-5-6-8(10)7-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b8-7-
InChIKeyFSGDUVOQJQYMNR-FPLPWBNLSA-N
MW235.12 g/mol
LogP3.32
Rot. Bonds6

About (Z)-3-bromonon-2-enoic acid

(Z)-3-bromonon-2-enoic acid (PubChem CID 20847750) has the molecular formula C9H15BrO2 and a molecular weight of 235.12 g/mol. Its IUPAC name is (Z)-3-bromonon-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-bromonon-2-enoic acid
PubChem CID20847750
Molecular FormulaC9H15BrO2
Molecular Weight235.12 g/mol
Exact Mass234.03
IUPAC Name(Z)-3-bromonon-2-enoic acid
SMILESCCCCCC/C(Br)=C/C(=O)O
InChIInChI=1S/C9H15BrO2/c1-2-3-4-5-6-8(10)7-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b8-7-
InChIKeyFSGDUVOQJQYMNR-FPLPWBNLSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-bromonon-2-enoic acid?
The IUPAC name of (Z)-3-bromonon-2-enoic acid (CID 20847750) is (Z)-3-bromonon-2-enoic acid.
What is the SMILES notation for (Z)-3-bromonon-2-enoic acid?
The canonical SMILES for (Z)-3-bromonon-2-enoic acid is CCCCCC/C(Br)=C/C(=O)O.
What is the InChIKey of (Z)-3-bromonon-2-enoic acid?
The InChIKey is FSGDUVOQJQYMNR-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H15BrO2/c1-2-3-4-5-6-8(10)7-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b8-7-.
What are the key properties of (Z)-3-bromonon-2-enoic acid?
(Z)-3-bromonon-2-enoic acid has a molecular weight of 235.12 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-bromonon-2-enoic acid is sourced from PubChem (CID 20847750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).