N-(2,3-dimethyl-1H-indol-7-yl)formamide

C11H12N2O — CID 174861152

IUPACN-(2,3-dimethyl-1H-indol-7-yl)formamide
SMILESCc1[nH]c2c(NC=O)cccc2c1C
InChIInChI=1S/C11H12N2O/c1-7-8(2)13-11-9(7)4-3-5-10(11)12-6-14/h3-6,13H,1-2H3,(H,12,14)
InChIKeyIDDIDFARDDDSKV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.35
Rot. Bonds2

About N-(2,3-dimethyl-1H-indol-7-yl)formamide

N-(2,3-dimethyl-1H-indol-7-yl)formamide (PubChem CID 174861152) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-indol-7-yl)formamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-indol-7-yl)formamide
PubChem CID174861152
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(2,3-dimethyl-1H-indol-7-yl)formamide
SMILESCc1[nH]c2c(NC=O)cccc2c1C
InChIInChI=1S/C11H12N2O/c1-7-8(2)13-11-9(7)4-3-5-10(11)12-6-14/h3-6,13H,1-2H3,(H,12,14)
InChIKeyIDDIDFARDDDSKV-UHFFFAOYSA-N
XLogP2.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-indol-7-yl)formamide?
The IUPAC name of N-(2,3-dimethyl-1H-indol-7-yl)formamide (CID 174861152) is N-(2,3-dimethyl-1H-indol-7-yl)formamide.
What is the SMILES notation for N-(2,3-dimethyl-1H-indol-7-yl)formamide?
The canonical SMILES for N-(2,3-dimethyl-1H-indol-7-yl)formamide is Cc1[nH]c2c(NC=O)cccc2c1C.
What is the InChIKey of N-(2,3-dimethyl-1H-indol-7-yl)formamide?
The InChIKey is IDDIDFARDDDSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-8(2)13-11-9(7)4-3-5-10(11)12-6-14/h3-6,13H,1-2H3,(H,12,14).
What are the key properties of N-(2,3-dimethyl-1H-indol-7-yl)formamide?
N-(2,3-dimethyl-1H-indol-7-yl)formamide has a molecular weight of 188.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1H-indol-7-yl)formamide is sourced from PubChem (CID 174861152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).