(1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine

C8H11NO — CID 22448322

IUPAC(1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine
SMILESCN(C)/C=C1\C=CC=CO1
InChIInChI=1S/C8H11NO/c1-9(2)7-8-5-3-4-6-10-8/h3-7H,1-2H3/b8-7+
InChIKeyQTYSRVKITLLMLX-BQYQJAHWSA-N
MW137.18 g/mol
LogP1.49
Rot. Bonds1

About (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine

(1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine (PubChem CID 22448322) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine.

Molecular Properties

Compound Name(1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine
PubChem CID22448322
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine
SMILESCN(C)/C=C1\C=CC=CO1
InChIInChI=1S/C8H11NO/c1-9(2)7-8-5-3-4-6-10-8/h3-7H,1-2H3/b8-7+
InChIKeyQTYSRVKITLLMLX-BQYQJAHWSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine?
The IUPAC name of (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine (CID 22448322) is (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine.
What is the SMILES notation for (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine?
The canonical SMILES for (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine is CN(C)/C=C1\C=CC=CO1.
What is the InChIKey of (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine?
The InChIKey is QTYSRVKITLLMLX-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H11NO/c1-9(2)7-8-5-3-4-6-10-8/h3-7H,1-2H3/b8-7+.
What are the key properties of (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine?
(1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine has a molecular weight of 137.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine is sourced from PubChem (CID 22448322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).