(1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide

C13H18F2N2O — CID 154807687

IUPAC(1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide
SMILESO=C(NC1CC2(C1)CC2(F)F)[C@]12CC[C@H]1CNC2
InChIInChI=1S/C13H18F2N2O/c14-13(15)6-11(13)3-9(4-11)17-10(18)12-2-1-8(12)5-16-7-12/h8-9,16H,1-7H2,(H,17,18)/t8-,9?,11?,12-/m0/s1
InChIKeyWIIFJWLNUUMUTR-YPVDUWFGSA-N
MW256.30 g/mol
LogP1.29
Rot. Bonds2

About (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide

(1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide (PubChem CID 154807687) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide
PubChem CID154807687
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide
SMILESO=C(NC1CC2(C1)CC2(F)F)[C@]12CC[C@H]1CNC2
InChIInChI=1S/C13H18F2N2O/c14-13(15)6-11(13)3-9(4-11)17-10(18)12-2-1-8(12)5-16-7-12/h8-9,16H,1-7H2,(H,17,18)/t8-,9?,11?,12-/m0/s1
InChIKeyWIIFJWLNUUMUTR-YPVDUWFGSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide?
The IUPAC name of (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide (CID 154807687) is (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide.
What is the SMILES notation for (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide?
The canonical SMILES for (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide is O=C(NC1CC2(C1)CC2(F)F)[C@]12CC[C@H]1CNC2.
What is the InChIKey of (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide?
The InChIKey is WIIFJWLNUUMUTR-YPVDUWFGSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-13(15)6-11(13)3-9(4-11)17-10(18)12-2-1-8(12)5-16-7-12/h8-9,16H,1-7H2,(H,17,18)/t8-,9?,11?,12-/m0/s1.
What are the key properties of (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide?
(1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide is sourced from PubChem (CID 154807687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).