(3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile

C17H18N2O — CID 2321976

IUPAC(3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile
SMILESN#CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1
InChIInChI=1S/C17H18N2O/c18-13-16-7-6-15(12-14-4-2-1-3-5-14)17(16)19-8-10-20-11-9-19/h1-5,12H,6-11H2/b15-12-
InChIKeyQUNBGVFFWDDQJR-QINSGFPZSA-N
MW266.34 g/mol
LogP2.97
Rot. Bonds2

About (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile

(3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile (PubChem CID 2321976) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile.

Molecular Properties

Compound Name(3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile
PubChem CID2321976
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile
SMILESN#CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1
InChIInChI=1S/C17H18N2O/c18-13-16-7-6-15(12-14-4-2-1-3-5-14)17(16)19-8-10-20-11-9-19/h1-5,12H,6-11H2/b15-12-
InChIKeyQUNBGVFFWDDQJR-QINSGFPZSA-N
XLogP2.97
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile?
The IUPAC name of (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile (CID 2321976) is (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile.
What is the SMILES notation for (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile?
The canonical SMILES for (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile is N#CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1.
What is the InChIKey of (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile?
The InChIKey is QUNBGVFFWDDQJR-QINSGFPZSA-N. The full InChI is InChI=1S/C17H18N2O/c18-13-16-7-6-15(12-14-4-2-1-3-5-14)17(16)19-8-10-20-11-9-19/h1-5,12H,6-11H2/b15-12-.
What are the key properties of (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile?
(3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-2-morpholin-4-ylcyclopentene-1-carbonitrile is sourced from PubChem (CID 2321976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).