N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide

C11H13N3O2 — CID 174964931

IUPACN-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide
SMILESCC1(C)C(=O)Nc2cc(NNC=O)ccc21
InChIInChI=1S/C11H13N3O2/c1-11(2)8-4-3-7(14-12-6-15)5-9(8)13-10(11)16/h3-6,14H,1-2H3,(H,12,15)(H,13,16)
InChIKeyCEOACXFYXNIWCP-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.99
Rot. Bonds3

About N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide

N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide (PubChem CID 174964931) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide.

Molecular Properties

Compound NameN-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide
PubChem CID174964931
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide
SMILESCC1(C)C(=O)Nc2cc(NNC=O)ccc21
InChIInChI=1S/C11H13N3O2/c1-11(2)8-4-3-7(14-12-6-15)5-9(8)13-10(11)16/h3-6,14H,1-2H3,(H,12,15)(H,13,16)
InChIKeyCEOACXFYXNIWCP-UHFFFAOYSA-N
XLogP0.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide?
The IUPAC name of N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide (CID 174964931) is N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide.
What is the SMILES notation for N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide?
The canonical SMILES for N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide is CC1(C)C(=O)Nc2cc(NNC=O)ccc21.
What is the InChIKey of N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide?
The InChIKey is CEOACXFYXNIWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2)8-4-3-7(14-12-6-15)5-9(8)13-10(11)16/h3-6,14H,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide?
N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide has a molecular weight of 219.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]formamide is sourced from PubChem (CID 174964931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).