[(1S)-1-hydroxypropyl] prop-2-enoate

C6H10O3 — CID 88739010

IUPAC[(1S)-1-hydroxypropyl] prop-2-enoate
SMILESC=CC(=O)O[C@H](O)CC
InChIInChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3,6,8H,1,4H2,2H3/t6-/m0/s1
InChIKeyCPWXVNZFDXZIMS-LURJTMIESA-N
MW130.14 g/mol
LogP0.44
Rot. Bonds3

About [(1S)-1-hydroxypropyl] prop-2-enoate

[(1S)-1-hydroxypropyl] prop-2-enoate (PubChem CID 88739010) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [(1S)-1-hydroxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[(1S)-1-hydroxypropyl] prop-2-enoate
PubChem CID88739010
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[(1S)-1-hydroxypropyl] prop-2-enoate
SMILESC=CC(=O)O[C@H](O)CC
InChIInChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3,6,8H,1,4H2,2H3/t6-/m0/s1
InChIKeyCPWXVNZFDXZIMS-LURJTMIESA-N
XLogP0.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;1-hydroxypropyl prop-2-enoate
CID 174930262
bis(1-hydroxypropyl) (E)-but-2-enedioate
CID 87089328
1-hydroxybutyl prop-2-enoate;prop-2-en-1-ol
CID 88525550
1-hydroxyoctyl prop-2-enoate
CID 22340227
CID 172734708
CID 172734708
1-hydroxypropyl carbamate;prop-2-enoic acid
CID 87449677
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
1-aminopropyl prop-2-enoate;butane
CID 87190109
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
CID 177132586
CID 177132586
trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
CID 87225118
1-hydroxypropyl acetate
CID 21275092

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-hydroxypropyl] prop-2-enoate?
The IUPAC name of [(1S)-1-hydroxypropyl] prop-2-enoate (CID 88739010) is [(1S)-1-hydroxypropyl] prop-2-enoate.
What is the SMILES notation for [(1S)-1-hydroxypropyl] prop-2-enoate?
The canonical SMILES for [(1S)-1-hydroxypropyl] prop-2-enoate is C=CC(=O)O[C@H](O)CC.
What is the InChIKey of [(1S)-1-hydroxypropyl] prop-2-enoate?
The InChIKey is CPWXVNZFDXZIMS-LURJTMIESA-N. The full InChI is InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3,6,8H,1,4H2,2H3/t6-/m0/s1.
What are the key properties of [(1S)-1-hydroxypropyl] prop-2-enoate?
[(1S)-1-hydroxypropyl] prop-2-enoate has a molecular weight of 130.14 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-hydroxypropyl] prop-2-enoate is sourced from PubChem (CID 88739010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).