(E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine

C9H13NO — CID 118048230

IUPAC(E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine
SMILESC/C=C/C=C1/CCO/C1=C/N
InChIInChI=1S/C9H13NO/c1-2-3-4-8-5-6-11-9(8)7-10/h2-4,7H,5-6,10H2,1H3/b3-2+,8-4-,9-7+
InChIKeyLZBFPORMEOYISC-IFEZFDJPSA-N
MW151.21 g/mol
LogP1.71
Rot. Bonds1

About (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine

(E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine (PubChem CID 118048230) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine
PubChem CID118048230
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine
SMILESC/C=C/C=C1/CCO/C1=C/N
InChIInChI=1S/C9H13NO/c1-2-3-4-8-5-6-11-9(8)7-10/h2-4,7H,5-6,10H2,1H3/b3-2+,8-4-,9-7+
InChIKeyLZBFPORMEOYISC-IFEZFDJPSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine?
The IUPAC name of (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine (CID 118048230) is (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine.
What is the SMILES notation for (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine?
The canonical SMILES for (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine is C/C=C/C=C1/CCO/C1=C/N.
What is the InChIKey of (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine?
The InChIKey is LZBFPORMEOYISC-IFEZFDJPSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-4-8-5-6-11-9(8)7-10/h2-4,7H,5-6,10H2,1H3/b3-2+,8-4-,9-7+.
What are the key properties of (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine?
(E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine has a molecular weight of 151.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine is sourced from PubChem (CID 118048230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).