8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide

C16H21N3O — CID 155746665

IUPAC8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide
SMILESC1CC2CCC(C1)N2.O=CNc1cccc2[nH]ccc12
InChIInChI=1S/C9H8N2O.C7H13N/c12-6-11-9-3-1-2-8-7(9)4-5-10-8;1-2-6-4-5-7(3-1)8-6/h1-6,10H,(H,11,12);6-8H,1-5H2
InChIKeyKCHBFBHFDLFEEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.03
Rot. Bonds2

About 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide

8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide (PubChem CID 155746665) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide
PubChem CID155746665
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide
SMILESC1CC2CCC(C1)N2.O=CNc1cccc2[nH]ccc12
InChIInChI=1S/C9H8N2O.C7H13N/c12-6-11-9-3-1-2-8-7(9)4-5-10-8;1-2-6-4-5-7(3-1)8-6/h1-6,10H,(H,11,12);6-8H,1-5H2
InChIKeyKCHBFBHFDLFEEP-UHFFFAOYSA-N
XLogP3.03
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide?
The IUPAC name of 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide (CID 155746665) is 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide.
What is the SMILES notation for 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide?
The canonical SMILES for 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide is C1CC2CCC(C1)N2.O=CNc1cccc2[nH]ccc12.
What is the InChIKey of 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide?
The InChIKey is KCHBFBHFDLFEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C7H13N/c12-6-11-9-3-1-2-8-7(9)4-5-10-8;1-2-6-4-5-7(3-1)8-6/h1-6,10H,(H,11,12);6-8H,1-5H2.
What are the key properties of 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide?
8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide has a molecular weight of 271.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octane;N-(1H-indol-4-yl)formamide is sourced from PubChem (CID 155746665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).