(2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole

C14H19NO — CID 88905287

IUPAC(2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/c(C2CCOCC2)c[nH]/c1=C/C
InChIInChI=1S/C14H19NO/c1-3-5-12-13(10-15-14(12)4-2)11-6-8-16-9-7-11/h3-5,10-11,15H,1,6-9H2,2H3/b12-5-,14-4+
InChIKeyMSLDWVDUIZNIFI-SAKPHHSJSA-N
MW217.31 g/mol
LogP1.68
Rot. Bonds2

About (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole

(2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole (PubChem CID 88905287) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole
PubChem CID88905287
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/c(C2CCOCC2)c[nH]/c1=C/C
InChIInChI=1S/C14H19NO/c1-3-5-12-13(10-15-14(12)4-2)11-6-8-16-9-7-11/h3-5,10-11,15H,1,6-9H2,2H3/b12-5-,14-4+
InChIKeyMSLDWVDUIZNIFI-SAKPHHSJSA-N
XLogP1.68
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole?
The IUPAC name of (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole (CID 88905287) is (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole.
What is the SMILES notation for (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole?
The canonical SMILES for (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole is C=C/C=c1/c(C2CCOCC2)c[nH]/c1=C/C.
What is the InChIKey of (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole?
The InChIKey is MSLDWVDUIZNIFI-SAKPHHSJSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-5-12-13(10-15-14(12)4-2)11-6-8-16-9-7-11/h3-5,10-11,15H,1,6-9H2,2H3/b12-5-,14-4+.
What are the key properties of (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole?
(2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole has a molecular weight of 217.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-4-(oxan-4-yl)-3-prop-2-enylidene-1H-pyrrole is sourced from PubChem (CID 88905287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).