1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide

C14H17N3O — CID 118525930

IUPAC1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)N(C1CC1)C(=O)C2(C)C
InChIInChI=1S/C14H17N3O/c1-14(2)10-6-3-8(12(15)16)7-11(10)17(13(14)18)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H3,15,16)
InChIKeyYSYSQRTWJGRKCK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.76
Rot. Bonds2

About 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide

1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide (PubChem CID 118525930) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide
PubChem CID118525930
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)N(C1CC1)C(=O)C2(C)C
InChIInChI=1S/C14H17N3O/c1-14(2)10-6-3-8(12(15)16)7-11(10)17(13(14)18)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H3,15,16)
InChIKeyYSYSQRTWJGRKCK-UHFFFAOYSA-N
XLogP1.76
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide (CID 118525930) is 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)N(C1CC1)C(=O)C2(C)C.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide?
The InChIKey is YSYSQRTWJGRKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2)10-6-3-8(12(15)16)7-11(10)17(13(14)18)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H3,15,16).
What are the key properties of 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide?
1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide has a molecular weight of 243.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-2-oxoindole-6-carboximidamide is sourced from PubChem (CID 118525930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).