(1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene

C12H14N2O — CID 87915523

IUPAC(1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
SMILESCOc1cncc(C2=C[C@@H]3CNC[C@H]23)c1
InChIInChI=1S/C12H14N2O/c1-15-10-2-8(4-13-6-10)11-3-9-5-14-7-12(9)11/h2-4,6,9,12,14H,5,7H2,1H3/t9-,12+/m1/s1
InChIKeyZCKPJVLRNWGILY-SKDRFNHKSA-N
MW202.26 g/mol
LogP1.32
Rot. Bonds2

About (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene

(1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene (PubChem CID 87915523) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name(1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
PubChem CID87915523
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
SMILESCOc1cncc(C2=C[C@@H]3CNC[C@H]23)c1
InChIInChI=1S/C12H14N2O/c1-15-10-2-8(4-13-6-10)11-3-9-5-14-7-12(9)11/h2-4,6,9,12,14H,5,7H2,1H3/t9-,12+/m1/s1
InChIKeyZCKPJVLRNWGILY-SKDRFNHKSA-N
XLogP1.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5S)-6-(5-ethynyl-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
CID 87915213
3-[(2S)-aziridin-2-yl]-5-methoxypyridine
CID 55263273
7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71460834
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486280
3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine
CID 169114026
3-(furan-2-yl)-5-methoxypyridine
CID 174589333
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520603
3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione
CID 106520590
(1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71515118
7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71455355
6-(5-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidine-4-thione
CID 106520596
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.2.1]oct-6-ene;2,2,2-trifluoroacetic acid
CID 67271424

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene?
The IUPAC name of (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene (CID 87915523) is (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene?
The canonical SMILES for (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene is COc1cncc(C2=C[C@@H]3CNC[C@H]23)c1.
What is the InChIKey of (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene?
The InChIKey is ZCKPJVLRNWGILY-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H14N2O/c1-15-10-2-8(4-13-6-10)11-3-9-5-14-7-12(9)11/h2-4,6,9,12,14H,5,7H2,1H3/t9-,12+/m1/s1.
What are the key properties of (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene?
(1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene has a molecular weight of 202.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 87915523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).