N-methyl-1H-indol-3-amine;oxalic acid

C11H12N2O4 — CID 69068496

IUPACN-methyl-1H-indol-3-amine;oxalic acid
SMILESCNc1c[nH]c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C9H10N2.C2H2O4/c1-10-9-6-11-8-5-3-2-4-7(8)9;3-1(4)2(5)6/h2-6,10-11H,1H3;(H,3,4)(H,5,6)
InChIKeyGYZHXFSJZHJYAD-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.37
Rot. Bonds1

About N-methyl-1H-indol-3-amine;oxalic acid

N-methyl-1H-indol-3-amine;oxalic acid (PubChem CID 69068496) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-methyl-1H-indol-3-amine;oxalic acid.

Molecular Properties

Compound NameN-methyl-1H-indol-3-amine;oxalic acid
PubChem CID69068496
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN-methyl-1H-indol-3-amine;oxalic acid
SMILESCNc1c[nH]c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C9H10N2.C2H2O4/c1-10-9-6-11-8-5-3-2-4-7(8)9;3-1(4)2(5)6/h2-6,10-11H,1H3;(H,3,4)(H,5,6)
InChIKeyGYZHXFSJZHJYAD-UHFFFAOYSA-N
XLogP1.37
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1H-indol-3-ylamino)carbamic acid
CID 150338134
1H-indol-3-ylcarbamic acid
CID 66672709
3-(methylamino)-1H-quinolin-4-one
CID 119084506
N-(1H-indol-3-yl)-2-methyl-2-(methylamino)propanamide
CID 115165574
3-(1H-indol-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163934
(2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid
CID 177285146
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
3-amino-4-(1H-indol-3-ylamino)benzoic acid
CID 115127592
N'-(1H-indol-3-yl)methanediamine
CID 115225408
N-ethyl-1H-indol-3-amine
CID 22497863

Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-indol-3-amine;oxalic acid?
The IUPAC name of N-methyl-1H-indol-3-amine;oxalic acid (CID 69068496) is N-methyl-1H-indol-3-amine;oxalic acid.
What is the SMILES notation for N-methyl-1H-indol-3-amine;oxalic acid?
The canonical SMILES for N-methyl-1H-indol-3-amine;oxalic acid is CNc1c[nH]c2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-1H-indol-3-amine;oxalic acid?
The InChIKey is GYZHXFSJZHJYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H2O4/c1-10-9-6-11-8-5-3-2-4-7(8)9;3-1(4)2(5)6/h2-6,10-11H,1H3;(H,3,4)(H,5,6).
What are the key properties of N-methyl-1H-indol-3-amine;oxalic acid?
N-methyl-1H-indol-3-amine;oxalic acid has a molecular weight of 236.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-indol-3-amine;oxalic acid is sourced from PubChem (CID 69068496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).