2-(isocyanomethyl)-2-methyl-3H-furan

C7H9NO — CID 53443619

IUPAC2-(isocyanomethyl)-2-methyl-3H-furan
SMILES[C-]#[N+]CC1(C)CC=CO1
InChIInChI=1S/C7H9NO/c1-7(6-8-2)4-3-5-9-7/h3,5H,4,6H2,1H3
InChIKeyCOEIMXVWENNXOK-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.60
Rot. Bonds1

About 2-(isocyanomethyl)-2-methyl-3H-furan

2-(isocyanomethyl)-2-methyl-3H-furan (PubChem CID 53443619) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-(isocyanomethyl)-2-methyl-3H-furan.

Molecular Properties

Compound Name2-(isocyanomethyl)-2-methyl-3H-furan
PubChem CID53443619
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-(isocyanomethyl)-2-methyl-3H-furan
SMILES[C-]#[N+]CC1(C)CC=CO1
InChIInChI=1S/C7H9NO/c1-7(6-8-2)4-3-5-9-7/h3,5H,4,6H2,1H3
InChIKeyCOEIMXVWENNXOK-UHFFFAOYSA-N
XLogP1.60
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-3H-furan-2-yl)methylsulfinyl]ethanamine
CID 67796411
(2-ethyl-3H-furan-2-yl)-trimethylsilane
CID 67862178
2-methyl-2-[(2-methyl-3H-furan-2-yl)diselanyl]-3H-furan
CID 174958830
2-[(2-methyl-3H-furan-2-yl)methoxy]-1,3,2λ5-benzodioxaphosphole 2-oxide
CID 67780766
(2R)-2-methyl-2-propan-2-yl-3H-furan
CID 156838781
2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran
CID 154092606
N'-(2-methyl-3H-furan-2-yl)propane-1,3-diamine
CID 70561204
1-[4,7-bis[2-hydroxy-3-[(2-methyl-3H-furan-2-yl)oxy]-2-[(2-methyl-3H-furan-2-yl)oxymethyl]propyl]-1,4,7-triazonan-1-yl]-3-[(2-methyl-3H-furan-2-yl)oxy]-2-[(2-methyl-3H-furan-2-yl)oxymethyl]propan-2-ol
CID 87603694
(2-methyl-3,4-dihydropyran-2-yl)methyl but-2-enoate
CID 54477396
2-(2-hydroxy-3H-furan-2-yl)acetic acid
CID 141431436
2-ethyl-2-methyl-4H-1,3-dioxine
CID 175323270
2,2-bis(trifluoromethyl)-3H-furan
CID 59259642

Frequently Asked Questions

What is the IUPAC name of 2-(isocyanomethyl)-2-methyl-3H-furan?
The IUPAC name of 2-(isocyanomethyl)-2-methyl-3H-furan (CID 53443619) is 2-(isocyanomethyl)-2-methyl-3H-furan.
What is the SMILES notation for 2-(isocyanomethyl)-2-methyl-3H-furan?
The canonical SMILES for 2-(isocyanomethyl)-2-methyl-3H-furan is [C-]#[N+]CC1(C)CC=CO1.
What is the InChIKey of 2-(isocyanomethyl)-2-methyl-3H-furan?
The InChIKey is COEIMXVWENNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-7(6-8-2)4-3-5-9-7/h3,5H,4,6H2,1H3.
What are the key properties of 2-(isocyanomethyl)-2-methyl-3H-furan?
2-(isocyanomethyl)-2-methyl-3H-furan has a molecular weight of 123.15 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(isocyanomethyl)-2-methyl-3H-furan is sourced from PubChem (CID 53443619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).