(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane

C17H25ClN2 — CID 143338813

IUPAC(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane
SMILESC=C(/C=C\C)/C(=N\C)N/C=C(/Cl)CC1=CC=CC1.CC
InChIInChI=1S/C15H19ClN2.C2H6/c1-4-7-12(2)15(17-3)18-11-14(16)10-13-8-5-6-9-13;1-2/h4-8,11H,2,9-10H2,1,3H3,(H,17,18);1-2H3/b7-4-,14-11+;
InChIKeyQCGRUTFGMBHPEV-QBAXTUGNSA-N
MW292.85 g/mol
LogP5.12
Rot. Bonds5

About (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane

(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane (PubChem CID 143338813) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane.

Molecular Properties

Compound Name(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane
PubChem CID143338813
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane
SMILESC=C(/C=C\C)/C(=N\C)N/C=C(/Cl)CC1=CC=CC1.CC
InChIInChI=1S/C15H19ClN2.C2H6/c1-4-7-12(2)15(17-3)18-11-14(16)10-13-8-5-6-9-13;1-2/h4-8,11H,2,9-10H2,1,3H3,(H,17,18);1-2H3/b7-4-,14-11+;
InChIKeyQCGRUTFGMBHPEV-QBAXTUGNSA-N
XLogP5.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 88569346
(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
CID 118900424
4-Chloro-3,6-diethyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 123185553
4-Chloro-6-ethyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 123414169
2-[(3E)-4-chloropenta-1,3-dien-2-yl]-1,4-dihydropyrimidine
CID 123798047
(3E)-3-[(E)-3-[(Z)-but-1-enyl]-5-methylhept-3-en-2-ylidene]-N-ethenylpyrrol-2-amine
CID 126660952
(3E)-N-[(E)-2-methylbut-1-enyl]-3-[(Z)-3-methylidenehex-4-en-2-ylidene]-1H-pyrrol-2-imine
CID 137209332
(3E)-3-(1-chloro-3-methylidenepentylidene)-N-methyl-1H-pyrrol-2-imine
CID 137299626
(3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen
CID 145143773
4-chloro-6-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 156054767
(2E)-N-[(E)-but-1-enyl]-2-(1-chloroethylidene)-N'-propylpentanimidamide
CID 156230352
4,7-Dichloro-6-ethyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 163721976

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane?
The IUPAC name of (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane (CID 143338813) is (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane.
What is the SMILES notation for (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane?
The canonical SMILES for (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane is C=C(/C=C\C)/C(=N\C)N/C=C(/Cl)CC1=CC=CC1.CC.
What is the InChIKey of (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane?
The InChIKey is QCGRUTFGMBHPEV-QBAXTUGNSA-N. The full InChI is InChI=1S/C15H19ClN2.C2H6/c1-4-7-12(2)15(17-3)18-11-14(16)10-13-8-5-6-9-13;1-2/h4-8,11H,2,9-10H2,1,3H3,(H,17,18);1-2H3/b7-4-,14-11+;.
What are the key properties of (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane?
(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane has a molecular weight of 292.85 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide;ethane is sourced from PubChem (CID 143338813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).