6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one

C13H16N2O — CID 117308397

IUPAC6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one
SMILESCC(N)C1(c2ccc3c(c2)NC(=O)C3)CC1
InChIInChI=1S/C13H16N2O/c1-8(14)13(4-5-13)10-3-2-9-6-12(16)15-11(9)7-10/h2-3,7-8H,4-6,14H2,1H3,(H,15,16)
InChIKeyIXPMRZQDOUWKSI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.56
Rot. Bonds2

About 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one

6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one (PubChem CID 117308397) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one
PubChem CID117308397
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one
SMILESCC(N)C1(c2ccc3c(c2)NC(=O)C3)CC1
InChIInChI=1S/C13H16N2O/c1-8(14)13(4-5-13)10-3-2-9-6-12(16)15-11(9)7-10/h2-3,7-8H,4-6,14H2,1H3,(H,15,16)
InChIKeyIXPMRZQDOUWKSI-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one (CID 117308397) is 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one is CC(N)C1(c2ccc3c(c2)NC(=O)C3)CC1.
What is the InChIKey of 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one?
The InChIKey is IXPMRZQDOUWKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(14)13(4-5-13)10-3-2-9-6-12(16)15-11(9)7-10/h2-3,7-8H,4-6,14H2,1H3,(H,15,16).
What are the key properties of 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one?
6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-aminoethyl)cyclopropyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 117308397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).