(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene

C13H15N — CID 92980020

IUPAC(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2/t12-,13+/m1/s1
InChIKeyVHBRUQHAUJNUAM-OLZOCXBDSA-N
MW185.27 g/mol
LogP2.59
Rot. Bonds1

About (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene

(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 92980020) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID92980020
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2/t12-,13+/m1/s1
InChIKeyVHBRUQHAUJNUAM-OLZOCXBDSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-9-azabicyclo[3.3.1]non-2-ene
CID 70023991
3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171974442
3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene;propanedioic acid
CID 18694318
4-(8-azabicyclo[3.2.1]oct-2-en-3-yl)isoquinoline
CID 114244199
3-[3-methoxy-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171974952
5-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-1,3-thiazole
CID 164650981
3-(4-bromothiophen-3-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 130493793
(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene
CID 10923696
(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene
CID 102075089
4-phenylcyclopent-3-ene-1,2-diol
CID 85106712
1-[3-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)phenyl]cyclopropane-1-carbonitrile
CID 171974692
3-phenylbicyclo[3.1.0]hex-2-ene
CID 13395700

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene (CID 92980020) is (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene is C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2.
What is the InChIKey of (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is VHBRUQHAUJNUAM-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2/t12-,13+/m1/s1.
What are the key properties of (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene?
(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 185.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 92980020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).