N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide

C10H13NO2 — CID 10012498

IUPACN-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide
SMILESC=CC(C)/[N+]([O-])=C/Cc1ccco1
InChIInChI=1S/C10H13NO2/c1-3-9(2)11(12)7-6-10-5-4-8-13-10/h3-5,7-9H,1,6H2,2H3/b11-7-
InChIKeyWZGKLZJAQYRKNX-XFFZJAGNSA-N
MW179.22 g/mol
LogP1.98
Rot. Bonds4

About N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide

N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide (PubChem CID 10012498) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide
PubChem CID10012498
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide
SMILESC=CC(C)/[N+]([O-])=C/Cc1ccco1
InChIInChI=1S/C10H13NO2/c1-3-9(2)11(12)7-6-10-5-4-8-13-10/h3-5,7-9H,1,6H2,2H3/b11-7-
InChIKeyWZGKLZJAQYRKNX-XFFZJAGNSA-N
XLogP1.98
TPSA39.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-nitropropyl)furan
CID 14929135
N-[2-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107906669
N-[2-(furan-2-yl)ethyl]but-3-en-2-imine oxide
CID 10103742
2-(ethylperoxymethyl)furan
CID 175094388
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
2-but-3-enylfuran
CID 11977163
2-(3-fluoroprop-2-enyl)furan
CID 175355088
(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine
CID 117265852
1-(furan-2-ylmethoxy)ethanol
CID 20517704
2-[(E)-hex-2-enyl]furan
CID 13275150
3-(furan-2-yl)-N,N-dimethylprop-1-en-1-amine
CID 150615164
2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide?
The IUPAC name of N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide (CID 10012498) is N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide.
What is the SMILES notation for N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide?
The canonical SMILES for N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide is C=CC(C)/[N+]([O-])=C/Cc1ccco1.
What is the InChIKey of N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide?
The InChIKey is WZGKLZJAQYRKNX-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-9(2)11(12)7-6-10-5-4-8-13-10/h3-5,7-9H,1,6H2,2H3/b11-7-.
What are the key properties of N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide?
N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide has a molecular weight of 179.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-(furan-2-yl)ethanimine oxide is sourced from PubChem (CID 10012498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).