5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one

C14H19N3O — CID 115207779

IUPAC5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCNCC3CNC3)ccc2N1
InChIInChI=1S/C14H19N3O/c18-14-6-12-5-10(1-2-13(12)17-14)3-4-15-7-11-8-16-9-11/h1-2,5,11,15-16H,3-4,6-9H2,(H,17,18)
InChIKeyYLQKSNJQGULWTC-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.53
Rot. Bonds5

About 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one

5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one (PubChem CID 115207779) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
PubChem CID115207779
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCNCC3CNC3)ccc2N1
InChIInChI=1S/C14H19N3O/c18-14-6-12-5-10(1-2-13(12)17-14)3-4-15-7-11-8-16-9-11/h1-2,5,11,15-16H,3-4,6-9H2,(H,17,18)
InChIKeyYLQKSNJQGULWTC-UHFFFAOYSA-N
XLogP0.53
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115207782
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115261107
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
6-[2-(azetidin-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 115207809
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
CID 115172488
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one (CID 115207779) is 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCNCC3CNC3)ccc2N1.
What is the InChIKey of 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is YLQKSNJQGULWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-6-12-5-10(1-2-13(12)17-14)3-4-15-7-11-8-16-9-11/h1-2,5,11,15-16H,3-4,6-9H2,(H,17,18).
What are the key properties of 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one?
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 245.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115207779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).