5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one

C16H21ClN2O2 — CID 82173869

IUPAC5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1c(Cl)c(C(N)C2CCCO2)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C16H21ClN2O2/c1-8-12(17)9(13(18)11-5-4-6-21-11)7-10-14(8)19-15(20)16(10,2)3/h7,11,13H,4-6,18H2,1-3H3,(H,19,20)
InChIKeyKRHPGKSTHQZAHL-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.06
Rot. Bonds2

About 5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one

5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one (PubChem CID 82173869) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one
PubChem CID82173869
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1c(Cl)c(C(N)C2CCCO2)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C16H21ClN2O2/c1-8-12(17)9(13(18)11-5-4-6-21-11)7-10-14(8)19-15(20)16(10,2)3/h7,11,13H,4-6,18H2,1-3H3,(H,19,20)
InChIKeyKRHPGKSTHQZAHL-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[amino(oxolan-2-yl)methyl]-5-fluoro-3,3-dimethyl-1H-indol-2-one
CID 82173314
5-[Amino(oxolan-2-yl)methyl]-7-fluoro-1,3-dihydroindol-2-one
CID 82173508
5-[Amino(oxolan-2-yl)methyl]-7-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173554
5-[Amino(oxolan-2-yl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173600
5-[amino(oxolan-2-yl)methyl]-7-fluoro-3,3-dimethyl-1H-indol-2-one
CID 82173634
5-[1-Amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 103207165
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
5-[Amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43197953
5-[Amino(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43383693
6-Chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43487581
6-Chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43493722

Frequently Asked Questions

What is the IUPAC name of 5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one?
The IUPAC name of 5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one (CID 82173869) is 5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one?
The canonical SMILES for 5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one is Cc1c(Cl)c(C(N)C2CCCO2)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one?
The InChIKey is KRHPGKSTHQZAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-8-12(17)9(13(18)11-5-4-6-21-11)7-10-14(8)19-15(20)16(10,2)3/h7,11,13H,4-6,18H2,1-3H3,(H,19,20).
What are the key properties of 5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one?
5-[amino(oxolan-2-yl)methyl]-6-chloro-3,3,7-trimethyl-1H-indol-2-one has a molecular weight of 308.81 g/mol, XLogP of 3.06, 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-3,3,7-trimethyl-1H-indol-2-one is sourced from PubChem (CID 82173869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).