3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one

C15H21N3O — CID 54999584

IUPAC3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)N(CC1CC1)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C15H21N3O/c1-9(2)18(8-10-3-4-10)11-5-6-12-13(7-11)17-15(19)14(12)16/h5-7,9-10,14H,3-4,8,16H2,1-2H3,(H,17,19)
InChIKeyNDPOPIPZKQPWFG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.26
Rot. Bonds4

About 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one

3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 54999584) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
PubChem CID54999584
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)N(CC1CC1)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C15H21N3O/c1-9(2)18(8-10-3-4-10)11-5-6-12-13(7-11)17-15(19)14(12)16/h5-7,9-10,14H,3-4,8,16H2,1-2H3,(H,17,19)
InChIKeyNDPOPIPZKQPWFG-UHFFFAOYSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one (CID 54999584) is 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one is CC(C)N(CC1CC1)c1ccc2c(c1)NC(=O)C2N.
What is the InChIKey of 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is NDPOPIPZKQPWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9(2)18(8-10-3-4-10)11-5-6-12-13(7-11)17-15(19)14(12)16/h5-7,9-10,14H,3-4,8,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 54999584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).