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

C13H16ClN3O2 — CID 112625997

IUPAC3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N3CCC(CO)C3)c(Cl)cc21
InChIInChI=1S/C13H16ClN3O2/c14-9-3-8-10(16-13(19)12(8)15)4-11(9)17-2-1-7(5-17)6-18/h3-4,7,12,18H,1-2,5-6,15H2,(H,16,19)
InChIKeyZSIHDZVJOXFDHE-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.11
Rot. Bonds2

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

3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 112625997) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
PubChem CID112625997
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N3CCC(CO)C3)c(Cl)cc21
InChIInChI=1S/C13H16ClN3O2/c14-9-3-8-10(16-13(19)12(8)15)4-11(9)17-2-1-7(5-17)6-18/h3-4,7,12,18H,1-2,5-6,15H2,(H,16,19)
InChIKeyZSIHDZVJOXFDHE-UHFFFAOYSA-N
XLogP1.11
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one (CID 112625997) is 3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(N3CCC(CO)C3)c(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is ZSIHDZVJOXFDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-9-3-8-10(16-13(19)12(8)15)4-11(9)17-2-1-7(5-17)6-18/h3-4,7,12,18H,1-2,5-6,15H2,(H,16,19).
What are the key properties of 3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 281.74 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 112625997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).