(Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal

C9H10O2 — CID 131388064

IUPAC(Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal
SMILESC/C(C=O)=C/c1ccc(C)o1
InChIInChI=1S/C9H10O2/c1-7(6-10)5-9-4-3-8(2)11-9/h3-6H,1-2H3/b7-5-
InChIKeyFPNFGOZHODDTKE-ALCCZGGFSA-N
MW150.18 g/mol
LogP2.19
Rot. Bonds2

About (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal

(Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal (PubChem CID 131388064) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal
PubChem CID131388064
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal
SMILESC/C(C=O)=C/c1ccc(C)o1
InChIInChI=1S/C9H10O2/c1-7(6-10)5-9-4-3-8(2)11-9/h3-6H,1-2H3/b7-5-
InChIKeyFPNFGOZHODDTKE-ALCCZGGFSA-N
XLogP2.19
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.19
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 (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal?
The IUPAC name of (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal (CID 131388064) is (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal.
What is the SMILES notation for (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal?
The canonical SMILES for (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal is C/C(C=O)=C/c1ccc(C)o1.
What is the InChIKey of (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal?
The InChIKey is FPNFGOZHODDTKE-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(6-10)5-9-4-3-8(2)11-9/h3-6H,1-2H3/b7-5-.
What are the key properties of (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal?
(Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal has a molecular weight of 150.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enal is sourced from PubChem (CID 131388064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).