(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one

C13H9NO3 — CID 98176128

IUPAC(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@H]1C(=O)c1ccco1
InChIInChI=1S/C13H9NO3/c15-12(10-6-3-7-17-10)11-8-4-1-2-5-9(8)14-13(11)16/h1-7,11H,(H,14,16)/t11-/m0/s1
InChIKeyMVZPGVKQORMMNZ-NSHDSACASA-N
MW227.22 g/mol
LogP2.20
Rot. Bonds2

About (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one

(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 98176128) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one
PubChem CID98176128
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@H]1C(=O)c1ccco1
InChIInChI=1S/C13H9NO3/c15-12(10-6-3-7-17-10)11-8-4-1-2-5-9(8)14-13(11)16/h1-7,11H,(H,14,16)/t11-/m0/s1
InChIKeyMVZPGVKQORMMNZ-NSHDSACASA-N
XLogP2.20
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one (CID 98176128) is (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2[C@H]1C(=O)c1ccco1.
What is the InChIKey of (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is MVZPGVKQORMMNZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H9NO3/c15-12(10-6-3-7-17-10)11-8-4-1-2-5-9(8)14-13(11)16/h1-7,11H,(H,14,16)/t11-/m0/s1.
What are the key properties of (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one?
(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 227.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 98176128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).