(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid

C7H10O3 — CID 124523017

IUPAC(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/[C@H]1CCCO1
InChIInChI=1S/C7H10O3/c8-7(9)4-3-6-2-1-5-10-6/h3-4,6H,1-2,5H2,(H,8,9)/b4-3+/t6-/m1/s1
InChIKeyFZHFLPZIOJBRGW-FCJGRKLLSA-N
MW142.15 g/mol
LogP0.81
Rot. Bonds2

About (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid

(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid (PubChem CID 124523017) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
PubChem CID124523017
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/[C@H]1CCCO1
InChIInChI=1S/C7H10O3/c8-7(9)4-3-6-2-1-5-10-6/h3-4,6H,1-2,5H2,(H,8,9)/b4-3+/t6-/m1/s1
InChIKeyFZHFLPZIOJBRGW-FCJGRKLLSA-N
XLogP0.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(oxolan-2-yl)but-3-enoic acid
CID 117267585
ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate
CID 102285322
2-[(E)-prop-1-enyl]oxolane
CID 12508233
(2S)-2-[(E)-2-nitroethenyl]oxolane
CID 124585776
(Z)-3-cyclobutylprop-2-enoic acid
CID 97289893
2-[(Z)-pent-1-enyl]oxolane
CID 11083976
(E)-4-oxo-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]but-2-enoic acid
CID 43402234
ethane;oxolane-2-carbaldehyde
CID 142055620
2-[(E)-3-bromoprop-1-enyl]oxolane
CID 82840033
(E)-N-naphthalen-2-yl-3-(oxolan-2-yl)prop-2-enamide
CID 137465399
(E)-3-[(2R)-pyrrolidin-2-yl]prop-2-enoic acid
CID 155072463
(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid
CID 124583830

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid (CID 124523017) is (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid is O=C(O)/C=C/[C@H]1CCCO1.
What is the InChIKey of (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid?
The InChIKey is FZHFLPZIOJBRGW-FCJGRKLLSA-N. The full InChI is InChI=1S/C7H10O3/c8-7(9)4-3-6-2-1-5-10-6/h3-4,6H,1-2,5H2,(H,8,9)/b4-3+/t6-/m1/s1.
What are the key properties of (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid?
(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid has a molecular weight of 142.15 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid is sourced from PubChem (CID 124523017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).