[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium

C16H20NO+ — CID 2430997

IUPAC[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium
SMILESC=CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-3-8-15(16-11-7-12-18-16)17-13(2)14-9-5-4-6-10-14/h3-7,9-13,15,17H,1,8H2,2H3/p+1/t13-,15+/m0/s1
InChIKeyNLXVBBUYEXXZMJ-DZGCQCFKSA-O
MW242.34 g/mol
LogP3.22
Rot. Bonds6

About [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium

[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium (PubChem CID 2430997) has the molecular formula C16H20NO+ and a molecular weight of 242.34 g/mol. Its IUPAC name is [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium
PubChem CID2430997
Molecular FormulaC16H20NO+
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium
SMILESC=CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-3-8-15(16-11-7-12-18-16)17-13(2)14-9-5-4-6-10-14/h3-7,9-13,15,17H,1,8H2,2H3/p+1/t13-,15+/m0/s1
InChIKeyNLXVBBUYEXXZMJ-DZGCQCFKSA-O
XLogP3.22
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium with MolForge

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 2430998
1-(furan-2-yl)-N-methylbut-3-en-1-amine
CID 62715262
N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
N-(1-phenylbut-3-enyl)furan-2-amine chloride
CID 53312740
2-(furan-2-yl)pent-4-enal
CID 10558783
furan-2-ylmethyl-[(1R)-1-(4-methylphenyl)but-3-enyl]azanium
CID 6944805
[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium
CID 7376292
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
2-ethenylfuran;1-phenylethylbenzene
CID 145486399
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium (CID 2430997) is [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium is C=CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccco1.
What is the InChIKey of [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium?
The InChIKey is NLXVBBUYEXXZMJ-DZGCQCFKSA-O. The full InChI is InChI=1S/C16H19NO/c1-3-8-15(16-11-7-12-18-16)17-13(2)14-9-5-4-6-10-14/h3-7,9-13,15,17H,1,8H2,2H3/p+1/t13-,15+/m0/s1.
What are the key properties of [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium?
[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium has a molecular weight of 242.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 2430997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).