3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one

C11H12N2O — CID 83752879

IUPAC3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one
SMILESNC1(C2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C11H12N2O/c12-11(5-6-11)9-7-3-1-2-4-8(7)13-10(9)14/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyMGDIDKRXRDMRCB-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.21
Rot. Bonds1

About 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one

3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one (PubChem CID 83752879) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one
PubChem CID83752879
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one
SMILESNC1(C2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C11H12N2O/c12-11(5-6-11)9-7-3-1-2-4-8(7)13-10(9)14/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyMGDIDKRXRDMRCB-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 6921460
3-(4-aminophenyl)-1,3-dihydroindol-2-one
CID 118364316
1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride
CID 167311658
3,3a,5,9b-tetrahydro-2H-furo[3,2-c]quinolin-4-one
CID 101071705
3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one
CID 102010173
oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
CID 175320984
ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 67600592
3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 70440034
3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 66628472
(5S)-5-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 96630122
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
CID 22380583

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one (CID 83752879) is 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one is NC1(C2C(=O)Nc3ccccc32)CC1.
What is the InChIKey of 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one?
The InChIKey is MGDIDKRXRDMRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-11(5-6-11)9-7-3-1-2-4-8(7)13-10(9)14/h1-4,9H,5-6,12H2,(H,13,14).
What are the key properties of 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one?
3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 83752879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).