(E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine

C7H11NO — CID 118048231

IUPAC(E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine
SMILESC/C=C1/COC/C1=C/N
InChIInChI=1S/C7H11NO/c1-2-6-4-9-5-7(6)3-8/h2-3H,4-5,8H2,1H3/b6-2-,7-3-
InChIKeyMDYHLEOATBOVNX-PORYWJCVSA-N
MW125.17 g/mol
LogP0.81
Rot. Bonds

About (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine

(E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine (PubChem CID 118048231) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine
PubChem CID118048231
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine
SMILESC/C=C1/COC/C1=C/N
InChIInChI=1S/C7H11NO/c1-2-6-4-9-5-7(6)3-8/h2-3H,4-5,8H2,1H3/b6-2-,7-3-
InChIKeyMDYHLEOATBOVNX-PORYWJCVSA-N
XLogP0.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine?
The IUPAC name of (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine (CID 118048231) is (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine.
What is the SMILES notation for (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine?
The canonical SMILES for (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine is C/C=C1/COC/C1=C/N.
What is the InChIKey of (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine?
The InChIKey is MDYHLEOATBOVNX-PORYWJCVSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-4-9-5-7(6)3-8/h2-3H,4-5,8H2,1H3/b6-2-,7-3-.
What are the key properties of (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine?
(E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(4E)-4-ethylideneoxolan-3-ylidene]methanamine is sourced from PubChem (CID 118048231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).