(2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal

C10H11BrO2 — CID 106889664

IUPAC(2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal
SMILESCC(C)/C(C=O)=C/c1occc1Br
InChIInChI=1S/C10H11BrO2/c1-7(2)8(6-12)5-10-9(11)3-4-13-10/h3-7H,1-2H3/b8-5+
InChIKeyFUCSRGDZRATHDK-VMPITWQZSA-N
MW243.10 g/mol
LogP3.28
Rot. Bonds3

About (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal

(2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal (PubChem CID 106889664) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal.

Molecular Properties

Compound Name(2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal
PubChem CID106889664
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal
SMILESCC(C)/C(C=O)=C/c1occc1Br
InChIInChI=1S/C10H11BrO2/c1-7(2)8(6-12)5-10-9(11)3-4-13-10/h3-7H,1-2H3/b8-5+
InChIKeyFUCSRGDZRATHDK-VMPITWQZSA-N
XLogP3.28
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal?
The IUPAC name of (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal (CID 106889664) is (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal.
What is the SMILES notation for (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal?
The canonical SMILES for (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal is CC(C)/C(C=O)=C/c1occc1Br.
What is the InChIKey of (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal?
The InChIKey is FUCSRGDZRATHDK-VMPITWQZSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7(2)8(6-12)5-10-9(11)3-4-13-10/h3-7H,1-2H3/b8-5+.
What are the key properties of (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal?
(2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal has a molecular weight of 243.10 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal is sourced from PubChem (CID 106889664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).