(2-deuterio-3H-furan-2-yl)methanamine

C5H9NO — CID 175748243

IUPAC(2-deuterio-3H-furan-2-yl)methanamine
SMILES[2H]C1(CN)CC=CO1
InChIInChI=1S/C5H9NO/c6-4-5-2-1-3-7-5/h1,3,5H,2,4,6H2/i5D
InChIKeyJOQHQSHHAHZCQF-UICOGKGYSA-N
MW100.14 g/mol
LogP0.25
Rot. Bonds1

About (2-deuterio-3H-furan-2-yl)methanamine

(2-deuterio-3H-furan-2-yl)methanamine (PubChem CID 175748243) has the molecular formula C5H9NO and a molecular weight of 100.14 g/mol. Its IUPAC name is (2-deuterio-3H-furan-2-yl)methanamine.

Molecular Properties

Compound Name(2-deuterio-3H-furan-2-yl)methanamine
PubChem CID175748243
Molecular FormulaC5H9NO
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name(2-deuterio-3H-furan-2-yl)methanamine
SMILES[2H]C1(CN)CC=CO1
InChIInChI=1S/C5H9NO/c6-4-5-2-1-3-7-5/h1,3,5H,2,4,6H2/i5D
InChIKeyJOQHQSHHAHZCQF-UICOGKGYSA-N
XLogP0.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-deuterio-3H-furan-2-yl)methanamine?
The IUPAC name of (2-deuterio-3H-furan-2-yl)methanamine (CID 175748243) is (2-deuterio-3H-furan-2-yl)methanamine.
What is the SMILES notation for (2-deuterio-3H-furan-2-yl)methanamine?
The canonical SMILES for (2-deuterio-3H-furan-2-yl)methanamine is [2H]C1(CN)CC=CO1.
What is the InChIKey of (2-deuterio-3H-furan-2-yl)methanamine?
The InChIKey is JOQHQSHHAHZCQF-UICOGKGYSA-N. The full InChI is InChI=1S/C5H9NO/c6-4-5-2-1-3-7-5/h1,3,5H,2,4,6H2/i5D.
What are the key properties of (2-deuterio-3H-furan-2-yl)methanamine?
(2-deuterio-3H-furan-2-yl)methanamine has a molecular weight of 100.14 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-deuterio-3H-furan-2-yl)methanamine is sourced from PubChem (CID 175748243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).