2H-pyran-2-ylmethanamine

C6H9NO — CID 21113632

IUPAC2H-pyran-2-ylmethanamine
SMILESNCC1C=CC=CO1
InChIInChI=1S/C6H9NO/c7-5-6-3-1-2-4-8-6/h1-4,6H,5,7H2
InChIKeyMJLIEWXLGHDVIP-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.41
Rot. Bonds1

About 2H-pyran-2-ylmethanamine

2H-pyran-2-ylmethanamine (PubChem CID 21113632) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2H-pyran-2-ylmethanamine.

Molecular Properties

Compound Name2H-pyran-2-ylmethanamine
PubChem CID21113632
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2H-pyran-2-ylmethanamine
SMILESNCC1C=CC=CO1
InChIInChI=1S/C6H9NO/c7-5-6-3-1-2-4-8-6/h1-4,6H,5,7H2
InChIKeyMJLIEWXLGHDVIP-UHFFFAOYSA-N
XLogP0.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2-ylmethanamine?
The IUPAC name of 2H-pyran-2-ylmethanamine (CID 21113632) is 2H-pyran-2-ylmethanamine.
What is the SMILES notation for 2H-pyran-2-ylmethanamine?
The canonical SMILES for 2H-pyran-2-ylmethanamine is NCC1C=CC=CO1.
What is the InChIKey of 2H-pyran-2-ylmethanamine?
The InChIKey is MJLIEWXLGHDVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-6-3-1-2-4-8-6/h1-4,6H,5,7H2.
What are the key properties of 2H-pyran-2-ylmethanamine?
2H-pyran-2-ylmethanamine has a molecular weight of 111.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2-ylmethanamine is sourced from PubChem (CID 21113632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).