2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate

C9H12N2O4 — CID 75483650

IUPAC2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
SMILESCc1ccoc1C(=O)NCCOC(N)=O
InChIInChI=1S/C9H12N2O4/c1-6-2-4-14-7(6)8(12)11-3-5-15-9(10)13/h2,4H,3,5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyFFVKYZJXVXGHDT-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.41
Rot. Bonds4

About 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate

2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate (PubChem CID 75483650) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
PubChem CID75483650
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
SMILESCc1ccoc1C(=O)NCCOC(N)=O
InChIInChI=1S/C9H12N2O4/c1-6-2-4-14-7(6)8(12)11-3-5-15-9(10)13/h2,4H,3,5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyFFVKYZJXVXGHDT-UHFFFAOYSA-N
XLogP0.41
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate (CID 75483650) is 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate is Cc1ccoc1C(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate?
The InChIKey is FFVKYZJXVXGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-2-4-14-7(6)8(12)11-3-5-15-9(10)13/h2,4H,3,5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate?
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate has a molecular weight of 212.20 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 75483650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).