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

C15H19ClN2 — CID 143338814

IUPAC(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide
SMILESC=C(/C=C\C)/C(=N\C)N/C=C(/Cl)CC1=CC=CC1
InChIInChI=1S/C15H19ClN2/c1-4-7-12(2)15(17-3)18-11-14(16)10-13-8-5-6-9-13/h4-8,11H,2,9-10H2,1,3H3,(H,17,18)/b7-4-,14-11+
InChIKeyLXDPPUTWOUSXLL-VEELRMRUSA-N
MW262.78 g/mol
LogP4.09
Rot. Bonds5

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

(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide (PubChem CID 143338814) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 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.

Molecular Properties

Compound Name(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide
PubChem CID143338814
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide
SMILESC=C(/C=C\C)/C(=N\C)N/C=C(/Cl)CC1=CC=CC1
InChIInChI=1S/C15H19ClN2/c1-4-7-12(2)15(17-3)18-11-14(16)10-13-8-5-6-9-13/h4-8,11H,2,9-10H2,1,3H3,(H,17,18)/b7-4-,14-11+
InChIKeyLXDPPUTWOUSXLL-VEELRMRUSA-N
XLogP4.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.09
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
(Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide
CID 118146193
(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
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
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
(3Z)-N-ethenyl-3-(3-methyl-2-methylidenebutylidene)pyrrol-2-amine
CID 130179056
(3E)-N-[(E)-2-methylbut-1-enyl]-3-[(Z)-3-methylidenehex-4-en-2-ylidene]-1H-pyrrol-2-imine
CID 137209332
(3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine
CID 137255174
(3E)-3-(1-chloro-3-methylidenepentylidene)-N-methyl-1H-pyrrol-2-imine
CID 137299626
(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine
CID 142308881

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?
The IUPAC name of (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide (CID 143338814) is (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide.
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?
The canonical SMILES for (Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide is C=C(/C=C\C)/C(=N\C)N/C=C(/Cl)CC1=CC=CC1.
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?
The InChIKey is LXDPPUTWOUSXLL-VEELRMRUSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-4-7-12(2)15(17-3)18-11-14(16)10-13-8-5-6-9-13/h4-8,11H,2,9-10H2,1,3H3,(H,17,18)/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?
(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide has a molecular weight of 262.78 g/mol, XLogP of 4.09, 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 is sourced from PubChem (CID 143338814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).