(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde

C17H18ClNO2 — CID 2322917

IUPAC(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
SMILESO=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClNO2/c18-16-5-1-13(2-6-16)11-14-3-4-15(12-20)17(14)19-7-9-21-10-8-19/h1-2,5-6,11-12H,3-4,7-10H2/b14-11-
InChIKeyOQZDLJMXSLAJPF-KAMYIIQDSA-N
MW303.79 g/mol
LogP3.30
Rot. Bonds3

About (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde

(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde (PubChem CID 2322917) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
PubChem CID2322917
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
SMILESO=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClNO2/c18-16-5-1-13(2-6-16)11-14-3-4-15(12-20)17(14)19-7-9-21-10-8-19/h1-2,5-6,11-12H,3-4,7-10H2/b14-11-
InChIKeyOQZDLJMXSLAJPF-KAMYIIQDSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-1,1,1-trifluorobut-3-en-2-one
CID 2306752
N-[(E)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6905178
1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
CID 129432047
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
(E)-3-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CID 2338330
N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline
CID 3725515
N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine
CID 23876396
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
CID 6158019
N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine
CID 84583005
1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine
CID 3416103
3,4-dichloro-N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]aniline
CID 42917264
N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-bromobenzamide
CID 6899054

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde (CID 2322917) is (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde is O=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde?
The InChIKey is OQZDLJMXSLAJPF-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-16-5-1-13(2-6-16)11-14-3-4-15(12-20)17(14)19-7-9-21-10-8-19/h1-2,5-6,11-12H,3-4,7-10H2/b14-11-.
What are the key properties of (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde?
(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde has a molecular weight of 303.79 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde is sourced from PubChem (CID 2322917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).