acetic acid;azane;3H-furan-2-imine

C6H12N2O3 — CID 174604327

IUPACacetic acid;azane;3H-furan-2-imine
SMILESCC(=O)O.N.[H]/N=C1/CC=CO1
InChIInChI=1S/C4H5NO.C2H4O2.H3N/c5-4-2-1-3-6-4;1-2(3)4;/h1,3,5H,2H2;1H3,(H,3,4);1H3/b5-4-;;
InChIKeyJLSXPGOQKPSRII-WNCVTPEDSA-N
MW160.17 g/mol
LogP1.15
Rot. Bonds

About acetic acid;azane;3H-furan-2-imine

acetic acid;azane;3H-furan-2-imine (PubChem CID 174604327) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is acetic acid;azane;3H-furan-2-imine.

Molecular Properties

Compound Nameacetic acid;azane;3H-furan-2-imine
PubChem CID174604327
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Nameacetic acid;azane;3H-furan-2-imine
SMILESCC(=O)O.N.[H]/N=C1/CC=CO1
InChIInChI=1S/C4H5NO.C2H4O2.H3N/c5-4-2-1-3-6-4;1-2(3)4;/h1,3,5H,2H2;1H3,(H,3,4);1H3/b5-4-;;
InChIKeyJLSXPGOQKPSRII-WNCVTPEDSA-N
XLogP1.15
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;3H-furan-2-imine?
The IUPAC name of acetic acid;azane;3H-furan-2-imine (CID 174604327) is acetic acid;azane;3H-furan-2-imine.
What is the SMILES notation for acetic acid;azane;3H-furan-2-imine?
The canonical SMILES for acetic acid;azane;3H-furan-2-imine is CC(=O)O.N.[H]/N=C1/CC=CO1.
What is the InChIKey of acetic acid;azane;3H-furan-2-imine?
The InChIKey is JLSXPGOQKPSRII-WNCVTPEDSA-N. The full InChI is InChI=1S/C4H5NO.C2H4O2.H3N/c5-4-2-1-3-6-4;1-2(3)4;/h1,3,5H,2H2;1H3,(H,3,4);1H3/b5-4-;;.
What are the key properties of acetic acid;azane;3H-furan-2-imine?
acetic acid;azane;3H-furan-2-imine has a molecular weight of 160.17 g/mol, XLogP of 1.15, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;3H-furan-2-imine is sourced from PubChem (CID 174604327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).