[(E)-furan-2-ylmethylideneamino]carbamic acid

C6H6N2O3 — CID 23219991

IUPAC[(E)-furan-2-ylmethylideneamino]carbamic acid
SMILESO=C(O)N/N=C/c1ccco1
InChIInChI=1S/C6H6N2O3/c9-6(10)8-7-4-5-2-1-3-11-5/h1-4,8H,(H,9,10)/b7-4+
InChIKeyBEKXAAPQDOBPIK-QPJJXVBHSA-N
MW154.12 g/mol
LogP0.88
Rot. Bonds2

About [(E)-furan-2-ylmethylideneamino]carbamic acid

[(E)-furan-2-ylmethylideneamino]carbamic acid (PubChem CID 23219991) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is [(E)-furan-2-ylmethylideneamino]carbamic acid.

Molecular Properties

Compound Name[(E)-furan-2-ylmethylideneamino]carbamic acid
PubChem CID23219991
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name[(E)-furan-2-ylmethylideneamino]carbamic acid
SMILESO=C(O)N/N=C/c1ccco1
InChIInChI=1S/C6H6N2O3/c9-6(10)8-7-4-5-2-1-3-11-5/h1-4,8H,(H,9,10)/b7-4+
InChIKeyBEKXAAPQDOBPIK-QPJJXVBHSA-N
XLogP0.88
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
CID 5423286
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
1,2-bis[(Z)-furan-2-ylmethylideneamino]guanidine
CID 6154529
(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea
CID 127261639
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331
N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 3097442
trans-(1R,2R)-N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 739752
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480

Frequently Asked Questions

What is the IUPAC name of [(E)-furan-2-ylmethylideneamino]carbamic acid?
The IUPAC name of [(E)-furan-2-ylmethylideneamino]carbamic acid (CID 23219991) is [(E)-furan-2-ylmethylideneamino]carbamic acid.
What is the SMILES notation for [(E)-furan-2-ylmethylideneamino]carbamic acid?
The canonical SMILES for [(E)-furan-2-ylmethylideneamino]carbamic acid is O=C(O)N/N=C/c1ccco1.
What is the InChIKey of [(E)-furan-2-ylmethylideneamino]carbamic acid?
The InChIKey is BEKXAAPQDOBPIK-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-6(10)8-7-4-5-2-1-3-11-5/h1-4,8H,(H,9,10)/b7-4+.
What are the key properties of [(E)-furan-2-ylmethylideneamino]carbamic acid?
[(E)-furan-2-ylmethylideneamino]carbamic acid has a molecular weight of 154.12 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-furan-2-ylmethylideneamino]carbamic acid is sourced from PubChem (CID 23219991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).