CID 59090942

C8H6O2 — CID 59090942

IUPAC—
SMILES[CH]C(=O)/C=C/c1ccco1
InChIInChI=1S/C8H6O2/c1-7(9)4-5-8-3-2-6-10-8/h1-6H/b5-4+
InChIKeyGIXNFMZWPLFCOC-SNAWJCMRSA-N
MW134.13 g/mol
LogP1.57
Rot. Bonds2

About CID 59090942

CID 59090942 (PubChem CID 59090942) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol.

Molecular Properties

Compound NameCID 59090942
PubChem CID59090942
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name—
SMILES[CH]C(=O)/C=C/c1ccco1
InChIInChI=1S/C8H6O2/c1-7(9)4-5-8-3-2-6-10-8/h1-6H/b5-4+
InChIKeyGIXNFMZWPLFCOC-SNAWJCMRSA-N
XLogP1.57
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)prop-2-enoic acid
CID 159116571
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
S-cyano (E)-3-(furan-2-yl)prop-2-enethioate
CID 56688094
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429
(E)-3-(furan-2-yl)-N-iminoprop-2-enamide
CID 126729442
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070

Frequently Asked Questions

What is the IUPAC name of CID 59090942?
The IUPAC name of CID 59090942 (CID 59090942) is not available.
What is the SMILES notation for CID 59090942?
The canonical SMILES for CID 59090942 is [CH]C(=O)/C=C/c1ccco1.
What is the InChIKey of CID 59090942?
The InChIKey is GIXNFMZWPLFCOC-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H6O2/c1-7(9)4-5-8-3-2-6-10-8/h1-6H/b5-4+.
What are the key properties of CID 59090942?
CID 59090942 has a molecular weight of 134.13 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59090942 is sourced from PubChem (CID 59090942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).