(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal

C8H8O3 — CID 102492012

IUPAC(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
SMILESCO/C(C=O)=C\c1ccco1
InChIInChI=1S/C8H8O3/c1-10-8(6-9)5-7-3-2-4-11-7/h2-6H,1H3/b8-5-
InChIKeySKICHXFXNYBGLN-YVMONPNESA-N
MW152.15 g/mol
LogP1.47
Rot. Bonds3

About (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal

(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal (PubChem CID 102492012) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
PubChem CID102492012
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
SMILESCO/C(C=O)=C\c1ccco1
InChIInChI=1S/C8H8O3/c1-10-8(6-9)5-7-3-2-4-11-7/h2-6H,1H3/b8-5-
InChIKeySKICHXFXNYBGLN-YVMONPNESA-N
XLogP1.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

furan-2-carbaldehyde;methoxymethane
CID 175302588
(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
CID 14939228
(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
CID 82111259
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
3-(furan-2-yl)-2-methoxyprop-2-en-1-amine
CID 70452275
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
methyl (E)-3-(furan-2-yl)-2-nitroprop-2-enoate
CID 10512117
methyl (2E,4E)-2-acetyl-5-(furan-2-yl)-4-methylpenta-2,4-dienoate
CID 5363486
furan-2-carbaldehyde
CID 76972982
(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
CID 59665521
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819
azane;furan-2-carbaldehyde
CID 19372392

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal?
The IUPAC name of (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal (CID 102492012) is (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal.
What is the SMILES notation for (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal?
The canonical SMILES for (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal is CO/C(C=O)=C\c1ccco1.
What is the InChIKey of (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal?
The InChIKey is SKICHXFXNYBGLN-YVMONPNESA-N. The full InChI is InChI=1S/C8H8O3/c1-10-8(6-9)5-7-3-2-4-11-7/h2-6H,1H3/b8-5-.
What are the key properties of (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal?
(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal has a molecular weight of 152.15 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-2-methoxyprop-2-enal is sourced from PubChem (CID 102492012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).