N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide

C16H20N2O2 — CID 22313280

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide
SMILESO=C(NC1CC2CC1CN2)c1ccc2c(c1)OCCC2
InChIInChI=1S/C16H20N2O2/c19-16(18-14-8-13-6-12(14)9-17-13)11-4-3-10-2-1-5-20-15(10)7-11/h3-4,7,12-14,17H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyZFJLXXVOMLPULI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide (PubChem CID 22313280) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide
PubChem CID22313280
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide
SMILESO=C(NC1CC2CC1CN2)c1ccc2c(c1)OCCC2
InChIInChI=1S/C16H20N2O2/c19-16(18-14-8-13-6-12(14)9-17-13)11-4-3-10-2-1-5-20-15(10)7-11/h3-4,7,12-14,17H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyZFJLXXVOMLPULI-UHFFFAOYSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide (CID 22313280) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide is O=C(NC1CC2CC1CN2)c1ccc2c(c1)OCCC2.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide?
The InChIKey is ZFJLXXVOMLPULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(18-14-8-13-6-12(14)9-17-13)11-4-3-10-2-1-5-20-15(10)7-11/h3-4,7,12-14,17H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide is sourced from PubChem (CID 22313280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).