(3-methoxycarbonylfuran-2-yl)methylazanium

C7H10NO3+ — CID 7022982

IUPAC(3-methoxycarbonylfuran-2-yl)methylazanium
SMILESCOC(=O)c1ccoc1C[NH3+]
InChIInChI=1S/C7H9NO3/c1-10-7(9)5-2-3-11-6(5)4-8/h2-3H,4,8H2,1H3/p+1
InChIKeyVVDCGFAGWLPKAT-UHFFFAOYSA-O
MW156.16 g/mol
LogP-0.19
Rot. Bonds2

About (3-methoxycarbonylfuran-2-yl)methylazanium

(3-methoxycarbonylfuran-2-yl)methylazanium (PubChem CID 7022982) has the molecular formula C7H10NO3+ and a molecular weight of 156.16 g/mol. Its IUPAC name is (3-methoxycarbonylfuran-2-yl)methylazanium.

Molecular Properties

Compound Name(3-methoxycarbonylfuran-2-yl)methylazanium
PubChem CID7022982
Molecular FormulaC7H10NO3+
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name(3-methoxycarbonylfuran-2-yl)methylazanium
SMILESCOC(=O)c1ccoc1C[NH3+]
InChIInChI=1S/C7H9NO3/c1-10-7(9)5-2-3-11-6(5)4-8/h2-3H,4,8H2,1H3/p+1
InChIKeyVVDCGFAGWLPKAT-UHFFFAOYSA-O
XLogP-0.19
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylfuran-2-yl)methylazanium?
The IUPAC name of (3-methoxycarbonylfuran-2-yl)methylazanium (CID 7022982) is (3-methoxycarbonylfuran-2-yl)methylazanium.
What is the SMILES notation for (3-methoxycarbonylfuran-2-yl)methylazanium?
The canonical SMILES for (3-methoxycarbonylfuran-2-yl)methylazanium is COC(=O)c1ccoc1C[NH3+].
What is the InChIKey of (3-methoxycarbonylfuran-2-yl)methylazanium?
The InChIKey is VVDCGFAGWLPKAT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9NO3/c1-10-7(9)5-2-3-11-6(5)4-8/h2-3H,4,8H2,1H3/p+1.
What are the key properties of (3-methoxycarbonylfuran-2-yl)methylazanium?
(3-methoxycarbonylfuran-2-yl)methylazanium has a molecular weight of 156.16 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylfuran-2-yl)methylazanium is sourced from PubChem (CID 7022982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).