1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea

C11H14N4O2 — CID 115192631

IUPAC1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
SMILESCN1C(=O)Cc2cc(CNC(=O)NN)ccc21
InChIInChI=1S/C11H14N4O2/c1-15-9-3-2-7(6-13-11(17)14-12)4-8(9)5-10(15)16/h2-4H,5-6,12H2,1H3,(H2,13,14,17)
InChIKeyLBFSYGSYAUVFFN-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.12
Rot. Bonds2

About 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea

1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea (PubChem CID 115192631) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
PubChem CID115192631
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
SMILESCN1C(=O)Cc2cc(CNC(=O)NN)ccc21
InChIInChI=1S/C11H14N4O2/c1-15-9-3-2-7(6-13-11(17)14-12)4-8(9)5-10(15)16/h2-4H,5-6,12H2,1H3,(H2,13,14,17)
InChIKeyLBFSYGSYAUVFFN-UHFFFAOYSA-N
XLogP-0.12
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea with MolForge

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Related Compounds

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
CID 146105714
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426
1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
CID 110775797
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
5-[(3-aminobutylamino)methyl]-1-methyl-3H-indol-2-one
CID 115199282
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115196517
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea?
The IUPAC name of 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea (CID 115192631) is 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea.
What is the SMILES notation for 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea?
The canonical SMILES for 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea is CN1C(=O)Cc2cc(CNC(=O)NN)ccc21.
What is the InChIKey of 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea?
The InChIKey is LBFSYGSYAUVFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-15-9-3-2-7(6-13-11(17)14-12)4-8(9)5-10(15)16/h2-4H,5-6,12H2,1H3,(H2,13,14,17).
What are the key properties of 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea?
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea has a molecular weight of 234.26 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea is sourced from PubChem (CID 115192631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).