hydron;N-(1H-indol-4-yl)formamide

C9H9N2O+ — CID 174907409

IUPAChydron;N-(1H-indol-4-yl)formamide
SMILESO=CNc1cccc2[nH]ccc12.[H+]
InChIInChI=1S/C9H8N2O/c12-6-11-9-3-1-2-8-7(9)4-5-10-8/h1-6,10H,(H,11,12)/p+1
InChIKeyUMMIYZHQNYVCDN-UHFFFAOYSA-O
MW161.18 g/mol
LogP1.85
Rot. Bonds2

About hydron;N-(1H-indol-4-yl)formamide

hydron;N-(1H-indol-4-yl)formamide (PubChem CID 174907409) has the molecular formula C9H9N2O+ and a molecular weight of 161.18 g/mol. Its IUPAC name is hydron;N-(1H-indol-4-yl)formamide.

Molecular Properties

Compound Namehydron;N-(1H-indol-4-yl)formamide
PubChem CID174907409
Molecular FormulaC9H9N2O+
Molecular Weight161.18 g/mol
Exact Mass161.07
IUPAC Namehydron;N-(1H-indol-4-yl)formamide
SMILESO=CNc1cccc2[nH]ccc12.[H+]
InChIInChI=1S/C9H8N2O/c12-6-11-9-3-1-2-8-7(9)4-5-10-8/h1-6,10H,(H,11,12)/p+1
InChIKeyUMMIYZHQNYVCDN-UHFFFAOYSA-O
XLogP1.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide
CID 155746665
N-methyl-1H-indol-4-amine;hydrochloride
CID 174419140
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
N-(9H-carbazol-4-yl)formamide
CID 174728433
N-(1H-benzimidazol-4-yl)formamide
CID 15710577
1H-indol-4-ol
CID 102220556
2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide
CID 45495018
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
propane;N-prop-1-en-2-yl-1H-indol-4-amine
CID 143997760

Frequently Asked Questions

What is the IUPAC name of hydron;N-(1H-indol-4-yl)formamide?
The IUPAC name of hydron;N-(1H-indol-4-yl)formamide (CID 174907409) is hydron;N-(1H-indol-4-yl)formamide.
What is the SMILES notation for hydron;N-(1H-indol-4-yl)formamide?
The canonical SMILES for hydron;N-(1H-indol-4-yl)formamide is O=CNc1cccc2[nH]ccc12.[H+].
What is the InChIKey of hydron;N-(1H-indol-4-yl)formamide?
The InChIKey is UMMIYZHQNYVCDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8N2O/c12-6-11-9-3-1-2-8-7(9)4-5-10-8/h1-6,10H,(H,11,12)/p+1.
What are the key properties of hydron;N-(1H-indol-4-yl)formamide?
hydron;N-(1H-indol-4-yl)formamide has a molecular weight of 161.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;N-(1H-indol-4-yl)formamide is sourced from PubChem (CID 174907409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).