5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one

C13H15ClN2O2 — CID 43383693

IUPAC5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCO1
InChIInChI=1S/C13H15ClN2O2/c14-9-6-10-7(5-12(17)16-10)4-8(9)13(15)11-2-1-3-18-11/h4,6,11,13H,1-3,5,15H2,(H,16,17)
InChIKeyMFSLQSUYQJMAJO-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.01
Rot. Bonds2

About 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one

5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 43383693) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID43383693
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCO1
InChIInChI=1S/C13H15ClN2O2/c14-9-6-10-7(5-12(17)16-10)4-8(9)13(15)11-2-1-3-18-11/h4,6,11,13H,1-3,5,15H2,(H,16,17)
InChIKeyMFSLQSUYQJMAJO-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-Chloro-2-oxoindolin-5-yl)acetic acid
CID 22181639
5-[Amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one
CID 82173508
5-[1-Amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 103207165
5-[1-Amino-3-(2,2-difluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one
CID 103207166
5-[1-Amino-3-(2,2,2-trifluoroethoxy)propyl]-6-chloro-1,3-dihydroindol-2-one
CID 103207167
6-Chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one
CID 103207271
6-Chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 103207272
6-Chloro-5-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one
CID 103210732
6-Chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one
CID 103210733
6-Chloro-5-[1-chloro-3-(2,2-difluoroethoxy)propyl]-1,3-dihydroindol-2-one
CID 103210735
5-[1-Bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 103211009
Methyl 2-(6-chloro-2-oxoindolin-5-yl)acetate
CID 11172494

Frequently Asked Questions

What is the IUPAC name of 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 43383693) is 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one is NC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCO1.
What is the InChIKey of 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is MFSLQSUYQJMAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-9-6-10-7(5-12(17)16-10)4-8(9)13(15)11-2-1-3-18-11/h4,6,11,13H,1-3,5,15H2,(H,16,17).
What are the key properties of 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43383693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).