(furan-2-ylmethylamino) formate

C6H7NO3 — CID 174755937

IUPAC(furan-2-ylmethylamino) formate
SMILESO=CONCc1ccco1
InChIInChI=1S/C6H7NO3/c8-5-10-7-4-6-2-1-3-9-6/h1-3,5,7H,4H2
InChIKeyLTPGLXBVUSJCKV-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.46
Rot. Bonds4

About (furan-2-ylmethylamino) formate

(furan-2-ylmethylamino) formate (PubChem CID 174755937) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is (furan-2-ylmethylamino) formate.

Molecular Properties

Compound Name(furan-2-ylmethylamino) formate
PubChem CID174755937
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name(furan-2-ylmethylamino) formate
SMILESO=CONCc1ccco1
InChIInChI=1S/C6H7NO3/c8-5-10-7-4-6-2-1-3-9-6/h1-3,5,7H,4H2
InChIKeyLTPGLXBVUSJCKV-UHFFFAOYSA-N
XLogP0.46
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

furan-2-ylmethylhydrazine;dihydrochloride
CID 53402165
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
1-(furan-2-ylmethyl)-2-methylhydrazine
CID 119094029
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
CID 115595242
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
5-(furan-2-yl)pentyl formate
CID 87851919
6-(furan-2-yl)hexyl formate
CID 87852506
acetaldehyde;2-(chloromethyl)furan
CID 174376101
4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566

Frequently Asked Questions

What is the IUPAC name of (furan-2-ylmethylamino) formate?
The IUPAC name of (furan-2-ylmethylamino) formate (CID 174755937) is (furan-2-ylmethylamino) formate.
What is the SMILES notation for (furan-2-ylmethylamino) formate?
The canonical SMILES for (furan-2-ylmethylamino) formate is O=CONCc1ccco1.
What is the InChIKey of (furan-2-ylmethylamino) formate?
The InChIKey is LTPGLXBVUSJCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-10-7-4-6-2-1-3-9-6/h1-3,5,7H,4H2.
What are the key properties of (furan-2-ylmethylamino) formate?
(furan-2-ylmethylamino) formate has a molecular weight of 141.13 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (furan-2-ylmethylamino) formate is sourced from PubChem (CID 174755937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).