methyl N-(2-methylpropyl)furan-2-carboximidate

C10H15NO2 — CID 134907469

IUPACmethyl N-(2-methylpropyl)furan-2-carboximidate
SMILESCO/C(=N\CC(C)C)c1ccco1
InChIInChI=1S/C10H15NO2/c1-8(2)7-11-10(12-3)9-5-4-6-13-9/h4-6,8H,7H2,1-3H3/b11-10-
InChIKeyNXVRIVLSAVNJAV-KHPPLWFESA-N
MW181.24 g/mol
LogP2.33
Rot. Bonds3

About methyl N-(2-methylpropyl)furan-2-carboximidate

methyl N-(2-methylpropyl)furan-2-carboximidate (PubChem CID 134907469) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is methyl N-(2-methylpropyl)furan-2-carboximidate.

Molecular Properties

Compound Namemethyl N-(2-methylpropyl)furan-2-carboximidate
PubChem CID134907469
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Namemethyl N-(2-methylpropyl)furan-2-carboximidate
SMILESCO/C(=N\CC(C)C)c1ccco1
InChIInChI=1S/C10H15NO2/c1-8(2)7-11-10(12-3)9-5-4-6-13-9/h4-6,8H,7H2,1-3H3/b11-10-
InChIKeyNXVRIVLSAVNJAV-KHPPLWFESA-N
XLogP2.33
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.33
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylpropyl)furan-2-carboximidate?
The IUPAC name of methyl N-(2-methylpropyl)furan-2-carboximidate (CID 134907469) is methyl N-(2-methylpropyl)furan-2-carboximidate.
What is the SMILES notation for methyl N-(2-methylpropyl)furan-2-carboximidate?
The canonical SMILES for methyl N-(2-methylpropyl)furan-2-carboximidate is CO/C(=N\CC(C)C)c1ccco1.
What is the InChIKey of methyl N-(2-methylpropyl)furan-2-carboximidate?
The InChIKey is NXVRIVLSAVNJAV-KHPPLWFESA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)7-11-10(12-3)9-5-4-6-13-9/h4-6,8H,7H2,1-3H3/b11-10-.
What are the key properties of methyl N-(2-methylpropyl)furan-2-carboximidate?
methyl N-(2-methylpropyl)furan-2-carboximidate has a molecular weight of 181.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylpropyl)furan-2-carboximidate is sourced from PubChem (CID 134907469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).