N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide

C13H11BrN2O — CID 167945836

IUPACN-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(Nc1c[nH]c2cc(Br)ccc12)C12CC1C2
InChIInChI=1S/C13H11BrN2O/c14-8-1-2-9-10(3-8)15-6-11(9)16-12(17)13-4-7(13)5-13/h1-3,6-7,15H,4-5H2,(H,16,17)
InChIKeyRBHAHXNRZHVWOM-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.28
Rot. Bonds2

About N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide

N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167945836) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167945836
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC NameN-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(Nc1c[nH]c2cc(Br)ccc12)C12CC1C2
InChIInChI=1S/C13H11BrN2O/c14-8-1-2-9-10(3-8)15-6-11(9)16-12(17)13-4-7(13)5-13/h1-3,6-7,15H,4-5H2,(H,16,17)
InChIKeyRBHAHXNRZHVWOM-UHFFFAOYSA-N
XLogP3.28
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide (CID 167945836) is N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide is O=C(Nc1c[nH]c2cc(Br)ccc12)C12CC1C2.
What is the InChIKey of N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is RBHAHXNRZHVWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-8-1-2-9-10(3-8)15-6-11(9)16-12(17)13-4-7(13)5-13/h1-3,6-7,15H,4-5H2,(H,16,17).
What are the key properties of N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide?
N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 291.15 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167945836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).