5-amino-1-cyclopropyl-3H-indol-2-one;iron

C11H12FeN2O — CID 159753401

IUPAC5-amino-1-cyclopropyl-3H-indol-2-one;iron
SMILESNc1ccc2c(c1)CC(=O)N2C1CC1.[Fe]
InChIInChI=1S/C11H12N2O.Fe/c12-8-1-4-10-7(5-8)6-11(14)13(10)9-2-3-9;/h1,4-5,9H,2-3,6,12H2;
InChIKeyNDYFMCJVCQDVIP-UHFFFAOYSA-N
MW244.07 g/mol
LogP1.32
Rot. Bonds1

About 5-amino-1-cyclopropyl-3H-indol-2-one;iron

5-amino-1-cyclopropyl-3H-indol-2-one;iron (PubChem CID 159753401) has the molecular formula C11H12FeN2O and a molecular weight of 244.07 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-3H-indol-2-one;iron.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-3H-indol-2-one;iron
PubChem CID159753401
Molecular FormulaC11H12FeN2O
Molecular Weight244.07 g/mol
Exact Mass244.03
IUPAC Name5-amino-1-cyclopropyl-3H-indol-2-one;iron
SMILESNc1ccc2c(c1)CC(=O)N2C1CC1.[Fe]
InChIInChI=1S/C11H12N2O.Fe/c12-8-1-4-10-7(5-8)6-11(14)13(10)9-2-3-9;/h1,4-5,9H,2-3,6,12H2;
InChIKeyNDYFMCJVCQDVIP-UHFFFAOYSA-N
XLogP1.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one
CID 117039664
6-amino-1-(4-hydroxycyclohexyl)-3,4-dihydroquinolin-2-one
CID 115149339
1-cyclopropyl-5-nitro-3H-indol-2-one
CID 69317249
5-methoxy-1-piperidin-4-yl-3H-indol-2-one
CID 84632312
5-amino-1-(cyclobutylmethyl)-3H-indol-2-one
CID 65457808
5-acetyl-1-piperidin-4-yl-3H-indol-2-one
CID 84758259
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602
5-amino-1-(cyclohexylmethyl)-3H-indol-2-one
CID 43382539
6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one
CID 117040514
1-acetyl-5-amino-3H-indol-2-one
CID 12046998
5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one
CID 115119004
7-amino-4-cyclohexyl-1,4-benzothiazin-3-one
CID 84615614

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-3H-indol-2-one;iron?
The IUPAC name of 5-amino-1-cyclopropyl-3H-indol-2-one;iron (CID 159753401) is 5-amino-1-cyclopropyl-3H-indol-2-one;iron.
What is the SMILES notation for 5-amino-1-cyclopropyl-3H-indol-2-one;iron?
The canonical SMILES for 5-amino-1-cyclopropyl-3H-indol-2-one;iron is Nc1ccc2c(c1)CC(=O)N2C1CC1.[Fe].
What is the InChIKey of 5-amino-1-cyclopropyl-3H-indol-2-one;iron?
The InChIKey is NDYFMCJVCQDVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.Fe/c12-8-1-4-10-7(5-8)6-11(14)13(10)9-2-3-9;/h1,4-5,9H,2-3,6,12H2;.
What are the key properties of 5-amino-1-cyclopropyl-3H-indol-2-one;iron?
5-amino-1-cyclopropyl-3H-indol-2-one;iron has a molecular weight of 244.07 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-3H-indol-2-one;iron is sourced from PubChem (CID 159753401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).