3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one

C14H12O3 — CID 66559978

IUPAC3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one
SMILESC=CCOC1=CC(=O)c2ccccc2C12CO2
InChIInChI=1S/C14H12O3/c1-2-7-16-13-8-12(15)10-5-3-4-6-11(10)14(13)9-17-14/h2-6,8H,1,7,9H2
InChIKeyRTCKVRNMXULGCC-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.19
Rot. Bonds3

About 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one

3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one (PubChem CID 66559978) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one.

Molecular Properties

Compound Name3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one
PubChem CID66559978
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one
SMILESC=CCOC1=CC(=O)c2ccccc2C12CO2
InChIInChI=1S/C14H12O3/c1-2-7-16-13-8-12(15)10-5-3-4-6-11(10)14(13)9-17-14/h2-6,8H,1,7,9H2
InChIKeyRTCKVRNMXULGCC-UHFFFAOYSA-N
XLogP2.19
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one?
The IUPAC name of 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one (CID 66559978) is 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one.
What is the SMILES notation for 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one?
The canonical SMILES for 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one is C=CCOC1=CC(=O)c2ccccc2C12CO2.
What is the InChIKey of 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one?
The InChIKey is RTCKVRNMXULGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-2-7-16-13-8-12(15)10-5-3-4-6-11(10)14(13)9-17-14/h2-6,8H,1,7,9H2.
What are the key properties of 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one?
3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one has a molecular weight of 228.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxyspiro[naphthalene-4,2'-oxirane]-1-one is sourced from PubChem (CID 66559978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).