propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate

C12H17NO2 — CID 14900140

IUPACpropan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate
SMILESCC(C)=C(/N=C/OC(C)C)c1ccco1
InChIInChI=1S/C12H17NO2/c1-9(2)12(11-6-5-7-14-11)13-8-15-10(3)4/h5-8,10H,1-4H3/b13-8+
InChIKeyJSMPXEUNBRWVCM-MDWZMJQESA-N
MW207.27 g/mol
LogP3.48
Rot. Bonds4

About propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate

propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate (PubChem CID 14900140) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate
PubChem CID14900140
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namepropan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate
SMILESCC(C)=C(/N=C/OC(C)C)c1ccco1
InChIInChI=1S/C12H17NO2/c1-9(2)12(11-6-5-7-14-11)13-8-15-10(3)4/h5-8,10H,1-4H3/b13-8+
InChIKeyJSMPXEUNBRWVCM-MDWZMJQESA-N
XLogP3.48
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[(2R)-1-(furan-2-yl)-2-(hydroxyamino)propylidene]hydroxylamine
CID 27444187
methane;propan-2-yl furan-2-carboxylate
CID 157166715
(Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one
CID 171991292
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
furan-2-carboxylic acid;methanol
CID 70611195
furan-2-yl-(3-propan-2-yloxyphenyl)methanone
CID 62919464
(E)-3-(furan-2-yl)but-2-enal
CID 12601620
2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan
CID 155692254
2-[(E)-1-chloroprop-1-enyl]furan
CID 170605164
2-[(E)-2-methylhept-3-en-4-yl]furan
CID 146324229
furan-2-yl-tri(propan-2-yloxy)silane
CID 67271722
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate?
The IUPAC name of propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate (CID 14900140) is propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate.
What is the SMILES notation for propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate?
The canonical SMILES for propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate is CC(C)=C(/N=C/OC(C)C)c1ccco1.
What is the InChIKey of propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate?
The InChIKey is JSMPXEUNBRWVCM-MDWZMJQESA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)12(11-6-5-7-14-11)13-8-15-10(3)4/h5-8,10H,1-4H3/b13-8+.
What are the key properties of propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate?
propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate has a molecular weight of 207.27 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(furan-2-yl)-2-methylprop-1-enyl]methanimidate is sourced from PubChem (CID 14900140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).