3-methyl-2-azabicyclo[3.2.1]oct-2-ene

C8H13N — CID 14087255

IUPAC3-methyl-2-azabicyclo[3.2.1]oct-2-ene
SMILESCC1=NC2CCC(C1)C2
InChIInChI=1S/C8H13N/c1-6-4-7-2-3-8(5-7)9-6/h7-8H,2-5H2,1H3
InChIKeySIJILTMDVLBPMJ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.02
Rot. Bonds

About 3-methyl-2-azabicyclo[3.2.1]oct-2-ene

3-methyl-2-azabicyclo[3.2.1]oct-2-ene (PubChem CID 14087255) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-methyl-2-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-methyl-2-azabicyclo[3.2.1]oct-2-ene
PubChem CID14087255
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-methyl-2-azabicyclo[3.2.1]oct-2-ene
SMILESCC1=NC2CCC(C1)C2
InChIInChI=1S/C8H13N/c1-6-4-7-2-3-8(5-7)9-6/h7-8H,2-5H2,1H3
InChIKeySIJILTMDVLBPMJ-UHFFFAOYSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4S,6S)-6-methoxybicyclo[2.2.2]octan-2-one
CID 10796965
3,4-ditert-butylbicyclo[4.2.1]non-3-ene
CID 170545999
4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde
CID 152780092
[(1R,5S)-3-bicyclo[3.2.1]oct-2-enyl]-trimethylsilane
CID 11446692
(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 166775922
(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 96842588
2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 12648921
3-(methoxymethylidene)bicyclo[3.2.1]octane
CID 154370383
2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol
CID 90793029
5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole
CID 174682957
(1R,4R,8S)-3,8-dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one
CID 163031522
bicyclo[2.2.2]octane
CID 9235

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-methyl-2-azabicyclo[3.2.1]oct-2-ene (CID 14087255) is 3-methyl-2-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-methyl-2-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-methyl-2-azabicyclo[3.2.1]oct-2-ene is CC1=NC2CCC(C1)C2.
What is the InChIKey of 3-methyl-2-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is SIJILTMDVLBPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-7-2-3-8(5-7)9-6/h7-8H,2-5H2,1H3.
What are the key properties of 3-methyl-2-azabicyclo[3.2.1]oct-2-ene?
3-methyl-2-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 123.20 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 14087255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).