butyl 5-methylfuran-2-carboximidate

C10H15NO2 — CID 141409949

IUPACbutyl 5-methylfuran-2-carboximidate
SMILES[H]/N=C(\OCCCC)c1ccc(C)o1
InChIInChI=1S/C10H15NO2/c1-3-4-7-12-10(11)9-6-5-8(2)13-9/h5-6,11H,3-4,7H2,1-2H3/b11-10-
InChIKeyFRWSZTHYRNPBTG-KHPPLWFESA-N
MW181.24 g/mol
LogP2.73
Rot. Bonds4

About butyl 5-methylfuran-2-carboximidate

butyl 5-methylfuran-2-carboximidate (PubChem CID 141409949) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is butyl 5-methylfuran-2-carboximidate.

Molecular Properties

Compound Namebutyl 5-methylfuran-2-carboximidate
PubChem CID141409949
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Namebutyl 5-methylfuran-2-carboximidate
SMILES[H]/N=C(\OCCCC)c1ccc(C)o1
InChIInChI=1S/C10H15NO2/c1-3-4-7-12-10(11)9-6-5-8(2)13-9/h5-6,11H,3-4,7H2,1-2H3/b11-10-
InChIKeyFRWSZTHYRNPBTG-KHPPLWFESA-N
XLogP2.73
TPSA46.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethylfuran;bis(pentane)
CID 142226685
1-(5-methylfuran-2-yl)undecan-1-one
CID 114968847
butyl cinnoline-4-carboximidate
CID 70454798
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
ethoxycarbonyl 4-butoxybenzenecarboximidate;hydrochloride
CID 174486227
2-butylnonyl 5-methylfuran-2-carboxylate
CID 169048234
5-methyl-N'-propylfuran-2-carboximidamide
CID 141461978
3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5171820
4-butoxybenzenecarboximidamide
CID 3015454
(4-pentoxyphenyl)methyl carbamimidothioate;hydrochloride
CID 44658057
decyl 2-nitrobenzenecarboximidate
CID 11722704
2-(5-methylfuran-2-yl)ethanimidamide
CID 83676174

Frequently Asked Questions

What is the IUPAC name of butyl 5-methylfuran-2-carboximidate?
The IUPAC name of butyl 5-methylfuran-2-carboximidate (CID 141409949) is butyl 5-methylfuran-2-carboximidate.
What is the SMILES notation for butyl 5-methylfuran-2-carboximidate?
The canonical SMILES for butyl 5-methylfuran-2-carboximidate is [H]/N=C(\OCCCC)c1ccc(C)o1.
What is the InChIKey of butyl 5-methylfuran-2-carboximidate?
The InChIKey is FRWSZTHYRNPBTG-KHPPLWFESA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-7-12-10(11)9-6-5-8(2)13-9/h5-6,11H,3-4,7H2,1-2H3/b11-10-.
What are the key properties of butyl 5-methylfuran-2-carboximidate?
butyl 5-methylfuran-2-carboximidate has a molecular weight of 181.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5-methylfuran-2-carboximidate is sourced from PubChem (CID 141409949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).