(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one

C10H12O3 — CID 10678930

IUPAC(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one
SMILESCC(=O)/C=C/C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C10H12O3/c1-8(11)4-2-5-9-6-3-7-10(12)13-9/h2-4,7,9H,5-6H2,1H3/b4-2+/t9-/m1/s1
InChIKeyWTXFBCVFHRHFQD-HDMKULJXSA-N
MW180.20 g/mol
LogP1.39
Rot. Bonds3

About (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one

(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one (PubChem CID 10678930) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one
PubChem CID10678930
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one
SMILESCC(=O)/C=C/C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C10H12O3/c1-8(11)4-2-5-9-6-3-7-10(12)13-9/h2-4,7,9H,5-6H2,1H3/b4-2+/t9-/m1/s1
InChIKeyWTXFBCVFHRHFQD-HDMKULJXSA-N
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (E)-2-heptenoate
CID 5358363
Ethyl trans-2-hexenoate
CID 5364778
3-Hexenyl-2-butenoate, (2E,3Z)-
CID 16220110
(+-)-Massoia lactone
CID 39914
Massoia Lactone
CID 642793
3-Hexenyl 2-hexenoate, (3Z,2E)-
CID 5367679
5-ethyl-2(5H)-furanone
CID 16997
Ethyl 2-octenoate, (2E)-
CID 5364399
Parasorbic acid
CID 441575
Ethyl hex-2-enoate
CID 519129
Ethyl (3Z)-hexenoate
CID 12349896
Ethyl (E)-2-octenoate
CID 5352768

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one (CID 10678930) is (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one is CC(=O)/C=C/C[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one?
The InChIKey is WTXFBCVFHRHFQD-HDMKULJXSA-N. The full InChI is InChI=1S/C10H12O3/c1-8(11)4-2-5-9-6-3-7-10(12)13-9/h2-4,7,9H,5-6H2,1H3/b4-2+/t9-/m1/s1.
What are the key properties of (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one?
(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one has a molecular weight of 180.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 10678930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).