(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid

C7H10O3 — CID 124583830

IUPAC(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C\[C@@H]1CCOC1
InChIInChI=1S/C7H10O3/c8-7(9)2-1-6-3-4-10-5-6/h1-2,6H,3-5H2,(H,8,9)/b2-1-/t6-/m1/s1
InChIKeyKMUGSVLWKSIBEG-KERABAKMSA-N
MW142.15 g/mol
LogP0.66
Rot. Bonds2

About (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid

(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid (PubChem CID 124583830) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid
PubChem CID124583830
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C\[C@@H]1CCOC1
InChIInChI=1S/C7H10O3/c8-7(9)2-1-6-3-4-10-5-6/h1-2,6H,3-5H2,(H,8,9)/b2-1-/t6-/m1/s1
InChIKeyKMUGSVLWKSIBEG-KERABAKMSA-N
XLogP0.66
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 ≤ 50.66
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)-3-cyclobutylprop-2-enoic acid
CID 97289893
(1R,3aR,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxylic acid
CID 100658244
[(E)-oxolan-3-ylmethylideneamino] acetate
CID 87078938
(E)-3-(oxan-4-yl)prop-2-enehydrazide
CID 131235707
ethane;oxolane-3-carbaldehyde
CID 142909173
3-(2-methoxyethenyl)oxolane
CID 67974652
3-[(E)-3,3-dimethylbut-1-enyl]oxolane
CID 118487558
(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
CID 124523017
4-(oxolan-3-ylmethoxy)but-2-enoic acid
CID 76941062
(E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide
CID 24730334
(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid
CID 117266106
(E)-4-(methylamino)-4-(oxan-4-yl)but-2-enoic acid
CID 116956389

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid (CID 124583830) is (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid is O=C(O)/C=C\[C@@H]1CCOC1.
What is the InChIKey of (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid?
The InChIKey is KMUGSVLWKSIBEG-KERABAKMSA-N. The full InChI is InChI=1S/C7H10O3/c8-7(9)2-1-6-3-4-10-5-6/h1-2,6H,3-5H2,(H,8,9)/b2-1-/t6-/m1/s1.
What are the key properties of (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid?
(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid has a molecular weight of 142.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid is sourced from PubChem (CID 124583830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).