[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium

C13H18NO+ — CID 18389406

IUPAC[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium
SMILESC1=C[C@H]2C[C@H]1C[C@@H]2C[NH2+]Cc1ccco1
InChIInChI=1S/C13H17NO/c1-2-13(15-5-1)9-14-8-12-7-10-3-4-11(12)6-10/h1-5,10-12,14H,6-9H2/p+1/t10-,11-,12+/m0/s1
InChIKeyHLSOEDHCUUNGPI-SDDRHHMPSA-O
MW204.29 g/mol
LogP1.56
Rot. Bonds4

About [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium

[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium (PubChem CID 18389406) has the molecular formula C13H18NO+ and a molecular weight of 204.29 g/mol. Its IUPAC name is [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium
PubChem CID18389406
Molecular FormulaC13H18NO+
Molecular Weight204.29 g/mol
Exact Mass204.14
IUPAC Name[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium
SMILESC1=C[C@H]2C[C@H]1C[C@@H]2C[NH2+]Cc1ccco1
InChIInChI=1S/C13H17NO/c1-2-13(15-5-1)9-14-8-12-7-10-3-4-11(12)6-10/h1-5,10-12,14H,6-9H2/p+1/t10-,11-,12+/m0/s1
InChIKeyHLSOEDHCUUNGPI-SDDRHHMPSA-O
XLogP1.56
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl-[(4-methylphenyl)methyl]azanium
CID 11920515
1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(furan-2-ylmethyl)piperazine
CID 7180040
3-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-4-(furan-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98232509
1,5-dihydro-2,4-benzodioxepin-3-ylmethyl(furan-2-ylmethyl)azanium
CID 3394360
furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium
CID 6955169
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 26352660
2-(furan-2-ylmethylazaniumyl)acetate
CID 28743082
bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane
CID 22983009
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
(1S,4R,5R)-5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 100999801
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium?
The IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium (CID 18389406) is [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium?
The canonical SMILES for [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium is C1=C[C@H]2C[C@H]1C[C@@H]2C[NH2+]Cc1ccco1.
What is the InChIKey of [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium?
The InChIKey is HLSOEDHCUUNGPI-SDDRHHMPSA-O. The full InChI is InChI=1S/C13H17NO/c1-2-13(15-5-1)9-14-8-12-7-10-3-4-11(12)6-10/h1-5,10-12,14H,6-9H2/p+1/t10-,11-,12+/m0/s1.
What are the key properties of [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium?
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium has a molecular weight of 204.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 18389406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).