3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one

C12H13ClN2O2 — CID 79349829

IUPAC3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(OCC3CC3)c(Cl)cc21
InChIInChI=1S/C12H13ClN2O2/c13-8-3-7-9(15-12(16)11(7)14)4-10(8)17-5-6-1-2-6/h3-4,6,11H,1-2,5,14H2,(H,15,16)
InChIKeyUUNDPMWWVDYKGT-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one (PubChem CID 79349829) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one
PubChem CID79349829
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(OCC3CC3)c(Cl)cc21
InChIInChI=1S/C12H13ClN2O2/c13-8-3-7-9(15-12(16)11(7)14)4-10(8)17-5-6-1-2-6/h3-4,6,11H,1-2,5,14H2,(H,15,16)
InChIKeyUUNDPMWWVDYKGT-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 79348948
3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one
CID 79349477
3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one
CID 103284010
3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one
CID 79349392
3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one
CID 79344344
3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
CID 79349655
5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 106202243
3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 112625997
3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride
CID 122157091
5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106202211
3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79349803
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117327701

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one (CID 79349829) is 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(OCC3CC3)c(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one?
The InChIKey is UUNDPMWWVDYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-8-3-7-9(15-12(16)11(7)14)4-10(8)17-5-6-1-2-6/h3-4,6,11H,1-2,5,14H2,(H,15,16).
What are the key properties of 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one has a molecular weight of 252.70 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).