methyl N-(furan-2-carbonylamino)carbamate

C7H8N2O4 — CID 909545

IUPACmethyl N-(furan-2-carbonylamino)carbamate
SMILESCOC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C7H8N2O4/c1-12-7(11)9-8-6(10)5-3-2-4-13-5/h2-4H,1H3,(H,8,10)(H,9,11)
InChIKeyAIUHSFDTMVBWLP-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.28
Rot. Bonds1

About methyl N-(furan-2-carbonylamino)carbamate

methyl N-(furan-2-carbonylamino)carbamate (PubChem CID 909545) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl N-(furan-2-carbonylamino)carbamate.

Molecular Properties

Compound Namemethyl N-(furan-2-carbonylamino)carbamate
PubChem CID909545
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Namemethyl N-(furan-2-carbonylamino)carbamate
SMILESCOC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C7H8N2O4/c1-12-7(11)9-8-6(10)5-3-2-4-13-5/h2-4H,1H3,(H,8,10)(H,9,11)
InChIKeyAIUHSFDTMVBWLP-UHFFFAOYSA-N
XLogP0.28
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide
CID 9086877
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea
CID 971429
N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004
N-chlorofuran-2-carboxamide
CID 18537247
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
1-butyl-3-(furan-2-carbonylamino)urea
CID 4642065
2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide
CID 4646568
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998

Frequently Asked Questions

What is the IUPAC name of methyl N-(furan-2-carbonylamino)carbamate?
The IUPAC name of methyl N-(furan-2-carbonylamino)carbamate (CID 909545) is methyl N-(furan-2-carbonylamino)carbamate.
What is the SMILES notation for methyl N-(furan-2-carbonylamino)carbamate?
The canonical SMILES for methyl N-(furan-2-carbonylamino)carbamate is COC(=O)NNC(=O)c1ccco1.
What is the InChIKey of methyl N-(furan-2-carbonylamino)carbamate?
The InChIKey is AIUHSFDTMVBWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-12-7(11)9-8-6(10)5-3-2-4-13-5/h2-4H,1H3,(H,8,10)(H,9,11).
What are the key properties of methyl N-(furan-2-carbonylamino)carbamate?
methyl N-(furan-2-carbonylamino)carbamate has a molecular weight of 184.15 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(furan-2-carbonylamino)carbamate is sourced from PubChem (CID 909545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).