N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide

C11H14N2O — CID 88554811

IUPACN-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide
SMILESC=C(CC)/C(=N\C=N\C)c1ccco1
InChIInChI=1S/C11H14N2O/c1-4-9(2)11(13-8-12-3)10-6-5-7-14-10/h5-8H,2,4H2,1,3H3/b12-8+,13-11+
InChIKeyGKZRZOFMMJNWKW-UHSWXSRBSA-N
MW190.25 g/mol
LogP2.69
Rot. Bonds4

About N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide

N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide (PubChem CID 88554811) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide
PubChem CID88554811
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide
SMILESC=C(CC)/C(=N\C=N\C)c1ccco1
InChIInChI=1S/C11H14N2O/c1-4-9(2)11(13-8-12-3)10-6-5-7-14-10/h5-8H,2,4H2,1,3H3/b12-8+,13-11+
InChIKeyGKZRZOFMMJNWKW-UHSWXSRBSA-N
XLogP2.69
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(furan-2-yl)pent-2-enoic acid
CID 62632161
bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
CID 135436493
2-hex-1-en-2-ylfuran
CID 91416997
3-(furan-2-yl)pent-2-enenitrile
CID 71383305
ethane;(E)-3-(furan-2-yl)pent-2-enenitrile
CID 159560899
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
CID 89164600
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
1-[1-(furan-2-yl)ethenoxy]ethenethiol
CID 144631375
2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan
CID 155692254
(E)-3-(furan-2-yl)but-2-enal
CID 12601620
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide?
The IUPAC name of N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide (CID 88554811) is N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide is C=C(CC)/C(=N\C=N\C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide?
The InChIKey is GKZRZOFMMJNWKW-UHSWXSRBSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-9(2)11(13-8-12-3)10-6-5-7-14-10/h5-8H,2,4H2,1,3H3/b12-8+,13-11+.
What are the key properties of N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide?
N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide has a molecular weight of 190.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide is sourced from PubChem (CID 88554811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).