N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide

C11H14N2O — CID 89199878

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
SMILESO=CNCCC1CNc2ccccc21
InChIInChI=1S/C11H14N2O/c14-8-12-6-5-9-7-13-11-4-2-1-3-10(9)11/h1-4,8-9,13H,5-7H2,(H,12,14)
InChIKeyKQMYBCBYCGKYIU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.33
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide (PubChem CID 89199878) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
PubChem CID89199878
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
SMILESO=CNCCC1CNc2ccccc21
InChIInChI=1S/C11H14N2O/c14-8-12-6-5-9-7-13-11-4-2-1-3-10(9)11/h1-4,8-9,13H,5-7H2,(H,12,14)
InChIKeyKQMYBCBYCGKYIU-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide (CID 89199878) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide is O=CNCCC1CNc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide?
The InChIKey is KQMYBCBYCGKYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-8-12-6-5-9-7-13-11-4-2-1-3-10(9)11/h1-4,8-9,13H,5-7H2,(H,12,14).
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide has a molecular weight of 190.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide is sourced from PubChem (CID 89199878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).