6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one

C13H12ClNO3 — CID 43457466

IUPAC6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CCCO3)c(Cl)cc2N1
InChIInChI=1S/C13H12ClNO3/c14-9-6-10-7(5-12(16)15-10)4-8(9)13(17)11-2-1-3-18-11/h4,6,11H,1-3,5H2,(H,15,16)
InChIKeyHKIOXRSFJRGBQS-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.20
Rot. Bonds2

About 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one

6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 43457466) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
PubChem CID43457466
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CCCO3)c(Cl)cc2N1
InChIInChI=1S/C13H12ClNO3/c14-9-6-10-7(5-12(16)15-10)4-8(9)13(17)11-2-1-3-18-11/h4,6,11H,1-3,5H2,(H,15,16)
InChIKeyHKIOXRSFJRGBQS-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457544
6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one
CID 43457418
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one
CID 64911304
5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 66395714
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
CID 106826590
5-[bromo(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61096789
6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63013855
6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
CID 103219673

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one (CID 43457466) is 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)C3CCCO3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is HKIOXRSFJRGBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c14-9-6-10-7(5-12(16)15-10)4-8(9)13(17)11-2-1-3-18-11/h4,6,11H,1-3,5H2,(H,15,16).
What are the key properties of 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one?
6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 265.70 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 6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).