(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane

C13H19NO — CID 99737630

IUPAC(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(CC2C[C@H]3CC[C@@H](C2)N3)o1
InChIInChI=1S/C13H19NO/c1-9-2-5-13(15-9)8-10-6-11-3-4-12(7-10)14-11/h2,5,10-12,14H,3-4,6-8H2,1H3/t10?,11-,12+
InChIKeyWNUGMFSJBMNRIL-YOGCLGLASA-N
MW205.30 g/mol
LogP2.66
Rot. Bonds2

About (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane

(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 99737630) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID99737630
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(CC2C[C@H]3CC[C@@H](C2)N3)o1
InChIInChI=1S/C13H19NO/c1-9-2-5-13(15-9)8-10-6-11-3-4-12(7-10)14-11/h2,5,10-12,14H,3-4,6-8H2,1H3/t10?,11-,12+
InChIKeyWNUGMFSJBMNRIL-YOGCLGLASA-N
XLogP2.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane (CID 99737630) is (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane is Cc1ccc(CC2C[C@H]3CC[C@@H](C2)N3)o1.
What is the InChIKey of (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is WNUGMFSJBMNRIL-YOGCLGLASA-N. The full InChI is InChI=1S/C13H19NO/c1-9-2-5-13(15-9)8-10-6-11-3-4-12(7-10)14-11/h2,5,10-12,14H,3-4,6-8H2,1H3/t10?,11-,12+.
What are the key properties of (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 205.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 99737630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).