N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C14H16N2O — CID 66394400

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NC1C2CNCC21)C1Cc2ccccc21
InChIInChI=1S/C14H16N2O/c17-14(16-13-11-6-15-7-12(11)13)10-5-8-3-1-2-4-9(8)10/h1-4,10-13,15H,5-7H2,(H,16,17)
InChIKeyKYUDAZUATMNNAX-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.66
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66394400) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66394400
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NC1C2CNCC21)C1Cc2ccccc21
InChIInChI=1S/C14H16N2O/c17-14(16-13-11-6-15-7-12(11)13)10-5-8-3-1-2-4-9(8)10/h1-4,10-13,15H,5-7H2,(H,16,17)
InChIKeyKYUDAZUATMNNAX-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide with MolForge

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Related Compounds

N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397068
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
N-(2-chloropropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114296152
N-[(2R)-2-hydroxypropyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 83032513
N-(2-chloroethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396131
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 66397056
N-(3-amino-3-sulfanylidenepropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396706
N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 115648847
N-(2-amino-2-sulfanylideneethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394762
N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106122427
N-(2,2-dimethoxyethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395346
N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396103

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66394400) is N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is O=C(NC1C2CNCC21)C1Cc2ccccc21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is KYUDAZUATMNNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(16-13-11-6-15-7-12(11)13)10-5-8-3-1-2-4-9(8)10/h1-4,10-13,15H,5-7H2,(H,16,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66394400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).