5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one

C14H19N3O — CID 63990134

IUPAC5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(CC1CC1)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H19N3O/c1-8(4-9-2-3-9)16-13-7-12-10(5-11(13)15)6-14(18)17-12/h5,7-9,16H,2-4,6,15H2,1H3,(H,17,18)
InChIKeyPJTYQYFKHDVHGC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.36
Rot. Bonds4

About 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one

5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 63990134) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID63990134
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(CC1CC1)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H19N3O/c1-8(4-9-2-3-9)16-13-7-12-10(5-11(13)15)6-14(18)17-12/h5,7-9,16H,2-4,6,15H2,1H3,(H,17,18)
InChIKeyPJTYQYFKHDVHGC-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one (CID 63990134) is 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one is CC(CC1CC1)Nc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is PJTYQYFKHDVHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-8(4-9-2-3-9)16-13-7-12-10(5-11(13)15)6-14(18)17-12/h5,7-9,16H,2-4,6,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one?
5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63990134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).